Alternatives to BIOVIA COSMO-RS

FindMolecule, a new online inventory and ELN platform that enables biologists and chemists to find the right molecules, is a revolutionary online platform. It is used by labs around the globe to increase their efficiency. It is great for structure searches, barcode scanning and orders management. The electronic lab notebook is intuitive and the best on the market.

Mar-Kov is a leader in providing cost-effective software solutions to the pharmaceutical, chemical and cosmetics, flavors, fragrance, paints and coatings, as well as food industries. Mar-Kov provides robust traceability solutions to process, batch, or formulation-based manufacturers. This helps businesses automate their daily routines and streamline operations while complying with regulatory requirements such as HACCP, FDA, etc. This solution promotes paperless inventory through the use of barcoding and an electronic batch record system.

BIOVIA TURBOMOLE is an advanced software package for quantum chemistry that specializes in ab initio electronic structure calculations for a variety of systems, including molecules, clusters, periodic structures, and solutions. Originally developed at the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, the package is currently managed by TURBOMOLE GmbH, which has expanded its capabilities to include a wide range of computational methods such as density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster techniques, and GW-Bethe–Salpeter approaches. It stands out for its ability to provide precise predictions related to chemical reactions, spectroscopy, and simulations of optical devices. Key features include optimization of reaction pathways, searches for transition states, and the modeling of solvation effects through COSMO-RS. Additionally, its spectroscopic tools cover various techniques such as IR, Raman, VCD, UV-Vis, and vibronic spectra, while simulations of optical properties are enhanced by sophisticated methods for spin-orbit coupling and relativistic all-electron calculations. This powerful software thus serves as an essential resource for researchers aiming to explore complex chemical systems and their properties.

BIOVIA COSMOtherm represents a sophisticated implementation of COSMO-RS that merges principles of quantum chemistry with thermodynamics to forecast the thermodynamic characteristics of liquid substances. It computes the chemical potential of molecules in both pure and mixed liquids at varying temperatures, thus allowing for the estimation of various properties including solubility, partition coefficients, vapor pressures, and phase diagrams. In contrast to other approaches, COSMOtherm utilizes thermodynamically consistent equations to derive properties as a function of concentration and temperature, which enhances its accuracy. This tool is capable of predicting the solubility of liquids, solids, and gases, as well as providing values for activity coefficients, two-phase partitioning such as LogP, phase behavior, vapor pressures, free energy of solvation, pKa, energy of transfer to liquid-liquid interfaces, micellar and membrane partitioning, and interfacial tension. Additionally, COSMOtherm is equipped with a user-friendly graphical interface alongside a command-line version, facilitating smooth integration into pre-existing workflows, making it a versatile choice for researchers in the field. Its comprehensive capabilities make it a valuable asset for those seeking to understand complex liquid systems more thoroughly.

Khimera serves as a tool for determining the kinetic parameters associated with microscopic processes, as well as the thermodynamic and transport characteristics of various substances and their mixtures within gases, plasmas, and at the gas-solid interface. Its main users include engineers and researchers who focus on developing kinetic models and engaging in thermodynamic and kinetic simulations pertinent to fields such as chemical engineering, combustion, catalysis, metallurgy, and microelectronics. This software is particularly well-suited for multi-scale modeling, as it connects the fundamental molecular properties of individual molecules with the ensemble-averaged characteristics of the reactive medium, encompassing thermodynamic and transport properties along with the rates of chemical reactions. Additionally, Khimera allows for the integration of quantum-chemical simulation results, enabling users to derive properties without requiring any experimental data from their side. By bridging the gap between different scales of modeling, Khimera enhances the understanding of complex systems in various scientific domains.

BIOVIA solutions foster an unparalleled environment for scientific management, enabling organizations focused on science to develop and interlink innovations in biology, chemistry, and materials to enhance our quality of life. The leading BIOVIA portfolio emphasizes the seamless integration of diverse scientific disciplines, experimental workflows, and information needs throughout the entire spectrum of research, development, quality assurance, quality control, and manufacturing. It boasts capabilities spanning Scientific Informatics, Molecular Modeling and Simulation, Data Science, Laboratory Informatics, Formulation Design, BioPharma Quality and Compliance, as well as Manufacturing Analytics. BIOVIA is dedicated to accelerating innovation, boosting productivity, enhancing quality and compliance, lowering costs, and expediting product development for clients across various sectors. Additionally, it plays a crucial role in managing and unifying scientific innovation processes and information throughout the entire product lifecycle, ensuring a comprehensive approach to scientific advancement.

As a member of the DeepMatter Group, we persist in providing our advanced platforms for Synthesis & Reaction Prediction, Information Extraction, Cheminformatics, and the groundbreaking DigitalGlassware®, which is a cloud-based digital chemistry solution from DeepMatter™ that enhances recordability, reproducibility, and shareability throughout every phase of the discovery journey, from the initial planning of reactions to the final analysis of results. Our collaboration with clients and users remains strong as we develop innovative software solutions designed to elevate chemical research and refine scientific workflows. DeepMatter boasts a diverse range of products that significantly speed up and enhance the processes of hypothesis generation, design, and synthesis. By utilizing these tools, new compounds—including pharmaceuticals, agrichemicals, and performance chemicals—can reach the market more swiftly. Additionally, DigitalGlassware converts your chemistry into digital code, ultimately boosting laboratory productivity and efficiency in research endeavors. This fusion of technology and chemistry opens up new avenues for innovation and collaboration in the scientific community.

Reaxys is an online resource created by Elsevier that enables users to access a wealth of information regarding chemical substances and data sourced from published academic literature, including both journals and patents. This platform facilitates the retrieval of details about chemical compounds, reactions, properties, along with bibliographic and substance data, which includes synthesis planning guidance and experimental methods derived from a curated selection of journals and patents. Introduced in 2009 as a modern alternative to the CrossFire databases, Reaxys was crafted to provide research chemists with both contemporary and historical insights into organic, inorganic, and organometallic chemistry, all via a user-friendly interface. Spanning over two centuries of chemical research, it draws information from thousands of journal articles, books, and patents, ensuring a comprehensive resource. The database emphasizes data derived from specific journals and chemistry patents, prioritizing entries that feature a chemical structure, are validated by experimental data, and contain reliable citations, thus enhancing the credibility of the information provided. Furthermore, Reaxys continues to evolve, ensuring that it meets the ongoing needs of researchers in the ever-changing landscape of chemical research.

Quantum computing paves the way for the swift and cost-efficient creation of novel molecules and materials. InQuanto, an advanced platform for quantum computational chemistry, marks a significant advancement towards achieving this objective. The field of quantum chemistry seeks to precisely characterize and forecast the essential properties of matter, making it an invaluable asset for the innovation and formulation of new substances. Nonetheless, the intricacies of industrially relevant molecules and materials present challenges for accurate simulation. Current technologies necessitate a compromise, forcing users to choose between utilizing highly precise methods on minimal systems or resorting to approximations. InQuanto's adaptable workflow allows both computational chemists and quantum algorithm engineers to seamlessly integrate cutting-edge quantum algorithms with sophisticated subroutines and error mitigation techniques, optimizing performance on existing quantum platforms. This flexibility not only enhances research outcomes but also fosters collaboration among experts in the field, driving further innovation.

AQChemSim is an innovative cloud-based platform created by SandboxAQ that utilizes Large Quantitative Models (LQMs) based on principles of physics and chemistry to transform the landscape of materials discovery and enhancement. By incorporating techniques such as Density Functional Theory (DFT), Iterative Full Configuration Interaction (iFCI), Generative AI, Bayesian Optimization, and Chemical Foundation Models, AQChemSim facilitates precise simulations of molecular and material dynamics in real-world scenarios. The platform's features allow it to forecast performance under diverse stress conditions, expedite formulation via in silico testing, and investigate eco-friendly chemical processes. Remarkably, AQChemSim has achieved notable progress in battery technology, cutting the prediction time for lithium-ion battery end-of-life by 95%, while also attaining 35 times greater accuracy with a mere fraction of the data previously required. This advancement not only streamlines research but also paves the way for more efficient and sustainable energy solutions in the future.

CADSIM Plus is an innovative software designed for chemical process simulation, integrating a dynamic simulator based on first principles with a comprehensive Computer Assisted Drawing (CAD) interface all in one solution. It excels in conducting accurate heat and material balances across various chemical processes and is capable of creating intricate dynamic simulations that incorporate control logic and batch operations. The software is equipped with an extensive array of generic process modules and provides optional libraries tailored for diverse applications. CADSIM Plus accommodates a broad spectrum of drawing complexities, ranging from straightforward block diagrams to intricate engineering schematics, and facilitates the export of designs to AutoCAD and other conventional CAD software. With its 'electronic flowsheet' runtime simulation mode, users are provided with interactive and animated tools for simulation, allowing real-time adjustments to process conditions during operation. This versatile software finds applications in process design, troubleshooting, forecasting future process scenarios, and addressing challenges related to dynamic control, making it a valuable asset for engineers and researchers alike. Furthermore, its user-friendly interface ensures that even those new to process simulation can effectively harness its powerful capabilities.

NobleAI empowers businesses to hasten the creation of high-performance, eco-friendly, and responsibly sourced chemical and material products. We at NobleAI hold the conviction that advancements in materials science and chemistry are crucial for fostering a sustainable future, with AI playing a pivotal role in realising this vision. Our science-driven AI represents a robust integration of innovative artificial intelligence methods and comprehensive scientific knowledge, tailored specifically for product development. By merging data-informed insights with scientifically validated design, we achieve significantly enhanced accuracy while requiring considerably less data and shorter training durations. This approach not only uncovers deeper insights but also promotes greater transparency, interpretability, and adherence to scientific principles, ultimately leading to more informed decision-making in material innovation. As we continue to refine our methods, our commitment to sustainability remains at the forefront of our mission.

Evaluate formulations for sourcing and product development by utilizing our comprehensive 23 toxicological endpoint system, which enables the early detection of potential problems and the identification of safer alternatives. Gain insight into your organization's chemical footprint and streamline compliance and certification processes efficiently. Our user-friendly interface simplifies the collection of data, list-screening, and chemical hazard evaluations. Leverage the extensive Safer Chemistry Knowledge Base, featuring over 4,000 Verified Chemical Hazard Assessments conducted by Scivera’s certified toxicologists. Create a customized plan tailored to your specific needs and financial constraints. Whether you are a supplier or a brand, rest assured that you can submit or receive chemical reports with redacted details, ensuring the protection of intellectual property while still delivering essential safety information regarding chemicals. This dual focus on safety and confidentiality helps foster trust and transparency in the industry.

Enhance your design decisions and seamlessly monitor the entire compound synthesis journey with confidence. Torx serves as an innovative, visually-oriented, web-based platform that motivates chemistry discovery teams to collaborate effectively and accelerate their progress. It features dedicated, independent modules for Design, Make, Test, and Analyze, all working in harmony to provide a comprehensive platform for the discovery cycle. Expedite the design of molecules, easily capture and disseminate knowledge, and manage resources efficiently. The platform promotes collaborative efforts and efficient information sharing for all participants involved in the DMTA cycle. Regardless of whether you label it 'Design-Make-Test-Analyze' or 'Design-Synthesize-Test-Analyze,' all small molecule chemistry teams adhere to a standard process: designing molecules, synthesizing compounds, then testing and assessing the outcomes before embarking on the next cycle; this methodology is a guiding principle for chemistry teams globally. This streamlined approach not only enhances productivity but also fosters a culture of innovation within the team.

A comprehensive chemical management solution tailored to fulfill the precise needs of scientists, researchers, regulatory officials, and administrators across educational institutions, government entities, and various industries. This solution consists of several modules that facilitate web-based procurement of chemicals and supplies, comprehensive tracking of chemical life cycles, management of chemical inventories, regulatory oversight, waste management, compliance with regulations, financial auditing, resource allocation, and system security. It features an online ordering system equipped with a shopping cart capability. Additionally, it includes an integrated product search that connects to central stores, internal stockrooms, and catalogs from major suppliers such as Fisher, Sigma Aldrich, and VWR Scientific. This system allows for meticulous tracking of every chemical present on-site to a precise location, thereby supporting adherence to health and environmental regulations. A Chemical Abstract Database (CAD) is employed to ensure the integrity of the data, enhancing the overall reliability of the management system. With these features, the solution not only streamlines chemical management processes but also fosters a safer and more compliant working environment.

Predict 1D & 2D NMR spectra of structures. ACD/Labs NMR predictors can speed up your workflow, from experimental design to data interpretation. Use ACD/NMR Predictors for: Predict a complete set 1D and 2D NMR spectrum for 1H, 13C and 15N nuclei. Calculate chemical shifts, coupling constants in just seconds - Train algorithms using in-house data to increase accuracy for new chemical space

BIOVIA CISPro provides organizations with a comprehensive system to catalog all chemicals and materials at the container level within their facilities, ensuring real-time tracking and monitoring of usage. The platform supports an unlimited variety of material classes, including reference standards, and features robust security measures to protect sensitive information. Each business unit can manage its inventory independently, while still being part of a unified company account for streamlined oversight. CISPro equips users with essential tools for accurate tracking and reporting of chemicals and supplies, including controlled substances, while adhering to safety and regulatory standards through features like barcode labeling, remote inventory management, and Safety Data Sheet (SDS) organization. Generating reports is straightforward, enabling users to sort chemicals by various criteria such as location, vendor, name, CAS number, and formula. Most notably, it ensures that critical hazard information is readily accessible in the event of an emergency, enhancing overall safety and response readiness. This comprehensive approach not only facilitates compliance but also fosters a culture of safety within the organization.

Osium AI is an advanced software platform that harnesses artificial intelligence to assist industry leaders in speeding up the creation of sustainable, high-performance materials and chemicals. Utilizing an innovative technology founded on over ten years of expertise and numerous AI patents, Osium AI provides a comprehensive solution that addresses all phases of the materials and chemicals development process, including formulation, characterization, scale-up, and manufacturing. This platform empowers users to swiftly predict any material or chemical property within seconds, create optimal research and development experiment plans, and quickly analyze material characteristics and flaws. Additionally, it allows for the optimization of current processes, leading to reduced costs, improved material properties, and lower CO₂ emissions. With its adaptable software, Osium AI is equipped to support a wide range of R&D projects while accommodating the ever-changing demands of the industry. Overall, the platform stands out as a crucial tool for enhancing innovation in materials science.

MolPad seamlessly incorporates an interactive chemistry sketching tool into various online educational platforms. It allows educators to create open-ended questions regarding molecular structures and organic chemistry that extend beyond simply identifying correct answers. Explore how MolPad enhances online chemistry instruction through a low-code framework that facilitates the development of engaging content and intelligent assessments. Our platform has introduced multiple solutions for the intuitive drawing of structural formulas, allowing students to engage with concepts such as chemical nomenclature, functional groups, and Lewis structures in a digital setting. By offering targeted feedback based on individual mistakes, students can achieve a deeper understanding compared to traditional multiple-choice formats, ultimately fostering a richer learning experience in chemistry. Additionally, this interactive approach encourages students to think critically and creatively about chemical concepts.

Transforming materials data into superior products at an accelerated pace enhances research and development, streamlines scaling processes, and optimizes quality control and supply chain decisions. This approach enables the discovery of innovative materials while utilizing machine learning guidance to predict outcomes, leading to swifter and more effective results. As you progress towards production, you can construct a model that tests the boundaries of your products, facilitating the design of cost-effective and resilient production lines. Furthermore, these models can forecast potential failures by analyzing the supplied materials informatics alongside production line parameters. The Materials Zone platform compiles data from various independent sources, including materials suppliers and manufacturing facilities, ensuring secure communication between them. By leveraging machine learning algorithms on your experimental data, you can identify new materials with tailored properties, create ‘recipes’ for their synthesis, develop tools for automatic analysis of unique measurements, and gain valuable insights. This holistic approach not only enhances the efficiency of R&D but also fosters collaboration across the materials ecosystem, ultimately driving innovation forward.

Ansys Chemkin-Pro stands at the forefront of modeling intricate, chemically interactive systems. It has undergone rigorous validation for a wide array of chemistry-related applications and is recognized for its remarkably rapid simulation capabilities. In the current landscape of energy regulations, there is a pressing demand for high yields, efficiency, and quality while minimizing byproducts and waste. Ansys Chemkin-Pro serves as a chemical kinetics simulator that accurately represents idealized reacting flows, offering valuable insights into outcomes prior to production testing. Relying solely on experimental testing for confirming chemical processes can be economically challenging, especially with the rapid design cycles of today. Consequently, effective simulation plays a pivotal role in developing cost-efficient designs, facilitating quicker market entry for new products. Notably, Mitsuo Koshi, an esteemed chemical kineticist and passionate fireworks enthusiast, has gained recognition for judging prestigious fireworks competitions throughout Japan. Each year, the displays become increasingly spectacular; however, this escalation comes with the downside of rising emissions, raising concerns about environmental impact. As such, the balance between artistry in fireworks and environmental responsibility is becoming an ongoing challenge for both chemists and pyrotechnicians alike.

DWSIM is a versatile and free chemical process simulator that adheres to CAPE-OPEN standards, functioning seamlessly on multiple operating systems like Windows, Linux, macOS, Android, and iOS. Its user-friendly graphical interface allows for features that were once only available in paid software. The simulator excels in both steady-state and dynamic modeling by employing a parallel modular solver for enhanced efficiency. Additionally, DWSIM comes equipped with sophisticated property packages. Users can access an extensive array of unit operations, such as mixers, splitters, separators, pumps, compressors, expanders, heaters, coolers, valves, pipe segments, shortcut columns, heat exchangers, a variety of reactors, distillation and absorption columns, solids separators, and cake filters, alongside spreadsheets, Python scripts, and flowsheet unit operations. Furthermore, it includes an Excel Add-In for executing thermodynamic calculations directly within spreadsheets, as well as an automation API that facilitates the creation, modification, execution, and saving of flowsheets, making it an all-encompassing tool for chemical engineering. With its robust capabilities and user-centric design, DWSIM stands out as an invaluable resource for professionals in the field.

Calculate the physicochemical properties of organic compounds such as boiling point, aqueous solubility and logD, logP, pH, pKa, and other molecular descriptors from chemical structure.

Since 1999, we have been offering our clients the most comprehensive chemical management solutions available in the market, crafted in partnership with our customers and leading industry professionals. Our cloud-based platform, iChemistry, caters to end users within the chemical management supply chain. This software is designed to assist you in managing environmental, health, and safety performance while ensuring compliance, reducing risks, and enhancing profitability. It enables the creation and distribution of safety sheets, which are vital for identifying potential hazards, averting accidents, and mitigating workplace risks. Additionally, it ensures adherence to regulatory standards such as REACH and GHS, promoting sustainability by encouraging proactive measures to decrease hazardous materials. By boosting efficiency and control, iChemistry allows organizations to allocate more time and resources effectively. Moreover, our integrated SDS service provides access to one of the largest safety data sheet databases in Europe, with all sheets digitized for immediate retrieval of critical information. This ensures that you have the most up-to-date and comprehensive safety information at your fingertips, enhancing workplace safety and regulatory compliance even further.

Ensuring adherence to compliance standards for Substances of Very High Concern (SVHC) presents a continuous challenge for businesses involved in the production of chemicals or products that contain them. The manual approaches currently in use are increasingly becoming cumbersome and complicated due to the rise in regulatory demands and the complexities of the supply chain, making scalability a significant issue. Companies must efficiently scale up and manage increased workloads, particularly during product launches and submission periods. Additionally, navigating intricate and extensive supply chains requires persistent communication and coordination with suppliers. To address these challenges, APA Engineering, leveraging over 19 years of expertise in product chemical compliance and supported by a worldwide client network, has developed a web-based SaaS solution designed to minimize costs and time while enhancing compliance reporting. The Greencheck software streamlines and automates many essential aspects of product chemical compliance, allowing users to obtain chemical composition details with a single click. Vendors can conveniently upload information directly, even through Excel files, enabling comprehensive compliance reporting through a unified dashboard that consolidates all relevant product chemical regulations, thus making compliance more manageable and efficient for all stakeholders involved. This innovative approach not only simplifies the compliance process but also significantly enhances the overall effectiveness of supply chain management.

IPA can also help analyze small-scale experiments that produce gene and chemical lists. IPA allows for targeted searches on genes, chemicals, and drugs. It also allows the creation of interactive models of experimental system. Data analysis and search capabilities allow for the understanding of the significance of data, targets, or candidate biomarkers within larger biological or chemical systems. The Ingenuity Knowledge Base contains highly structured, detail-rich chemical and biological findings that backs the software. Learn more about QIAGEN Ingenuity Pathway Analysis. Comparison Analysis determines which pathways, upstream regulators and diseases are most important. It can also be used to identify biological functions across time, doses, and other conditions.

Chemstations offers a user-friendly suite of integrated process simulation software designed to enhance efficiency in chemical engineering projects. Experience the full capabilities of CHEMCAD NXT by conducting an extensive trial, where you can discover how our software seamlessly assists you with intricate system design, thorough analysis, and detailed reporting. You can start your free trial of CHEMCAD today and witness how effortlessly you can model both straightforward and complex chemical processes using a cohesive graphical interface. Additionally, we provide a variety of comprehensive training services for CHEMCAD, including basic and advanced courses along with engaging videos and webinars. The development of CHEMCAD was aimed at empowering chemical engineers across diverse industries, enhancing their design, evaluation, and testing abilities to boost productivity within their organizations. With adaptable pricing plans available, we cater to various requirements, ensuring that every user can find a suitable solution. CHEMCAD is designed to support the growing demands of the chemical engineering field, allowing professionals to stay ahead in their projects and innovations. Ultimately, our goal is to enable engineers to excel in their roles while driving progress across their respective sectors.

Mass spectrometry fragment prediction using rules-based methods Learn about fragmentation mechanisms and increase your confidence in your compound IDs.

EUPHOR is an innovative compliance management tool tailored for chemical companies striving to adhere to global regulations like REACH 2018. This solution features an automated alert system, secure data management and sharing capabilities, a user-friendly dashboard, and effective tools for collaboration and project oversight. Available in both cloud-based and on-premises formats, EUPHOR aims to simplify the processes of managing, tracking, and executing REACH compliance initiatives, while also being applicable to broader chemical regulatory requirements. This comprehensive compliance project management platform serves as an essential resource for overseeing all aspects of compliance programs. With the increasing complexity of chemical regulations worldwide, EUPHOR is designed to facilitate your compliance journey. Not only does it streamline the management of REACH and similar compliance projects, but it also enhances collaboration and progress tracking in meeting chemical regulatory standards. Unlike many other regulatory compliance tools that only provide information, EUPHOR offers a full suite of features that actively support compliance efforts. Ultimately, EUPHOR is an indispensable ally for chemical companies navigating the challenging landscape of regulatory compliance.

ChemInventory streamlines the organization of your lab's chemical inventory, significantly reducing the time your team spends locating various compounds, allowing them to focus on their research tasks. This secure, cloud-enabled software facilitates effective management of chemical containers within your lab environment. Your team can quickly search for compounds using various criteria such as name, CAS registry number, molecular structure, or any custom fields you choose to define. Alongside the chemical structures, additional pertinent information is displayed in the search results for comprehensive insight. ChemInventory is compatible with all devices, including both PCs and Macs, ensuring that your inventory is not restricted to a single workstation. Our commitment to data security includes encrypting all information on our servers with the AES-256 standard, while daily backups safeguard against potential data loss. Furthermore, each container can be assigned a unique barcode, making inventory checks and stocktaking efficient and straightforward using a barcode scanner, which enhances the overall usability of the system. This innovative approach not only simplifies inventory management but also empowers research teams to operate more effectively and productively.

Introducing Yordas Helix, the advanced product risk and regulatory intelligence management system designed to empower you in navigating market access and transformation while enhancing visibility throughout your global supply chains. Helix embodies our core values by integrating our extensive scientific expertise and industry insights with a spirit of collaboration, ultimately providing a pioneering solution to tackle your regulatory hurdles. Our goal is to equip you with an intuitive platform tailored to meet your unique business requirements. More than just a name, Helix signifies our commitment to fostering innovation through data. It combines our expert consulting services with a dynamic digital tool, offering you exceptional insights into ongoing chemical compliance and risk management. By merging your product data with our vast regulatory knowledge and compliance information, Helix enables you to assess how changes can affect your products and overall business operations, ensuring you remain ahead in a constantly evolving regulatory landscape. This comprehensive approach not only simplifies your compliance journey but also enhances your strategic decision-making capabilities.

Chemical companies are experiencing significant changes in their operational environment, facing challenges such as margin pressures, evolving customer usage and payment preferences, and the necessity for strategic flexibility to reduce cycle and lead times in reaction to shifting market conditions. In the chemical sector, maintaining competitiveness requires seamless processes, uninterrupted plant operations, and utmost reliability. As a premier SAP Partner, YASH’s SAP Centre of Excellence harnesses technology and adaptable business models to foster innovation and generate value across your chemical organization. Streamline the entire workflow from procurement and manufacturing to sales, distribution, and financial accounting, ensuring a smooth and secure transaction process. The solution includes pre-built applications and custom reports that adhere to statutory and regulatory requirements. Additionally, monitor formulas in real-time to manage input variability effectively while minimizing control costs. Embracing these advancements can significantly enhance operational efficiency and drive sustainable growth in the chemical industry.

Essence Manager is a tailored ERP solution specifically designed for the chemical sector, including industries such as Flavor & Fragrance, Cosmetics, and Health Care, as well as for passionate soap creators, aiding in inventory management and formulation processes. This comprehensive ERP system ensures complete product traceability from procurement to customer delivery. Among its features are modules for IFRA and EC 1223/2009 compliance validation, sample reservations, and financial tracking, among others. Users can easily create new blends by mixing ingredients in actual barrels or bottles from their inventory, combining them into an existing barrel that may be either empty or already contain substances. The software also facilitates the reuse of prior samples, formulations, and blends, making the process more efficient. To streamline operations further, it offers a Copy function, allowing users to replicate previous transfer actions or formulas, thus eliminating repetitive weighing for previously produced blends. It also provides real-time verification of blend compositions against predefined standards, such as IFRA guidelines, ensuring compliance and consistency in production. Additionally, this robust tool enhances productivity by simplifying the blending process for users.

BatchMaster Manufacturing ERP Solutions can be used by formula-based process manufacturers in the Food, Chemical, Nutraceutical, and Life Sciences industries. Our software supports batch production, formulation, packaging management, batch production, quality and recall, lot traceability & rappel, industry-specific compliance, planning, scheduling, mobile warehousing, and other process manufacturing functions. Manufacturers can use their existing financial systems to run our process manufacturing application, including QuickBooks, Sage 100&300 and Microsoft Dynamics GP. We offer an ERP solution for manufacturers looking to replace or upgrade existing business systems. It supports specific manufacturing, financials and sales as well as supply chain, purchasing and customer service. Our applications are available on-premise (purchased), and in the cloud (monthly subscription programs).

Optimize key separation parameters, create better starting points and speed up chromatographic methods. Make every experiment count. Software for predicting and optimizing LC and GC methods using QbD principles.

Datacor ERP is a fully integrated enterprise resource management (ERP) solution that was created by Datacor for the chemical distribution and process manufacturing industries. Datacor ERP connects people, processes, and departments across all operations to integrate the business environment. Process manufacturers have their own features, such as Cradle-to-Grave lot tracking and compliance with cfr21Part 11. Distribution-specific features include rebates, price support (CUPS), and multi-source purchasing.

Utilize our advanced machine learning algorithms and APIs to forecast experimental outcomes, assess material characteristics, and consolidate all your data seamlessly. Allow your data to propel your research forward. Designed to enhance research efficiency and grow alongside your needs, Polymerize is committed to fast-tracking the advancement of high-performance materials. We achieve this by offering a robust informatics platform that steers your research and development in the correct direction. You can easily upload past experiments and historical data, receiving predictions on material properties and formulations in return. Analyze your findings and customize the algorithm to fit your needs. Keep all your data organized within a unified workspace, enabling you to uncover deeper insights from your information. Foster innovation throughout your organization with a single platform, ensuring that everyone can contribute to progress. Collaboratively push research ahead while dismantling silos, allowing for confident management and forecasting. With a focus on cohesion, our platform serves as the cornerstone for innovative growth. Furthermore, this integrated approach empowers teams to streamline processes and achieve their goals efficiently.

All your 1D and 2D NMR data can be processed, analyzed, and assembled. ACD/NMR Workbook Suite provides a complete NMR software program. It offers a complete suite of advanced processing, analysis and databasing functions for 1D and 2-D NMR data from all major vendors formats. With synchronized peak picking, assignment across multiple datasets, you can easily process and analyze NMR data. Verify chemical structures with confidence Analyze and quantify mixtures. Prepare comprehensive reports and publish-ready data. Manage, share, and store NMR spectra that are linked to structures.

Since its inception in 1985, ChemDraw® solutions have delivered exceptional features and integrations that allow users to swiftly convert their concepts and sketches into impressive publications. ChemOffice+ Cloud serves as a comprehensive suite for chemistry communication, transforming chemical illustrations into valuable knowledge by streamlining the management, reporting, and presentation of chemistry research. This powerful suite is specifically designed to enhance and expedite communication within the field of chemistry. Building upon the foundation of ChemDraw Professional, ChemOffice+ Cloud offers a wide range of advanced tools that support scientific inquiry and collaboration. The once tedious process of drafting reports for chemical research is now significantly more efficient thanks to ChemOffice+ Cloud. With its robust capabilities for searching, reusing, selecting, and organizing chemical structures and data, chemists can effortlessly create polished PowerPoint presentations and manuscripts, making their work more accessible and impactful. This transformation not only saves time but also elevates the overall quality of research dissemination in the scientific community.

Uncountable assists R&D scientists in moving from projects and spreadsheets to a complete data management system that the entire team can use. The vendor claims that users can create innovative products using the latest predictive technology built on secure, cloud-based infrastructure. The Uncountable platform is an enterprise solution for experiment and lab management. R&D teams can manage all aspects of their lab from the Uncountable Platform, which includes LIMS and ELN functionality.

NEMS Chemicals offers a streamlined approach to handling HOCNF (Harmonized Offshore Chemical Notification Format) documentation, functioning entirely in the cloud without requiring any software installations—just a modern web browser is sufficient for access. This innovative service aids oil and gas operators by significantly easing the burden of preparing discharge applications and reports. Furthermore, chemical suppliers can take advantage of this platform as it simplifies the HOCNF documentation and registration processes. Developed and managed by NEMS alongside their KPD (Chemical Product Data) center, NEMS Chemicals plays a crucial role in the environmental management of offshore chemicals. The platform is specifically designed to register detailed information about chemical products and their components, including aspects such as physical characteristics, hazard markings, and eco-toxicological data. Additionally, users can effortlessly generate comprehensive HOCNF reports directly from the tool, enhancing efficiency and accuracy in chemical reporting. This comprehensive solution not only saves time but also ensures compliance with regulatory requirements in the offshore chemical sector.

Essential software toolkit for professionals in mineral processing for process research, development, analysis. You can quickly and easily perform thermodynamic and mineral processing calculations using a standard computer. This software is essential for process research, design, development, and digitalization. It can also be used to estimate process efficiencies, yields and environmental footprints. For more information, visit our web site.

Generate chemical names for structure and create structures from them according to IUPAC rules. It is capable of translating chemical names into more than 20 languages and handles difficult areas in nomenclature.

Avogadro serves as a sophisticated molecular editor and visualizer that operates across multiple platforms, catering to fields such as computational chemistry, molecular modeling, bioinformatics, and materials science. With its ability to provide flexible, high-quality rendering alongside a robust plugin architecture, it enhances user experience significantly. This free, open-source tool is compatible with Mac, Windows, and Linux, making it accessible to a wide range of users in scientific disciplines. Its design emphasizes not only functionality but also adaptability to various research needs.

Comprehensive molecular structure drawing. Draw chemical structures and communicate your science.