Alternatives to NMR Predictors

SDS Manager is a premier provider of SDS Management solutions, featuring one of the world’s largest SDS databases with over 14 million Safety Data Sheets in 25 languages. With SDS Manager, employees can access essential SDS information directly from their mobile devices by simply scanning QR code posters in work areas where chemicals are used. This seamless mobile access promotes both safety and regulatory compliance. Our automated data extraction feature lets you effortlessly add SDS files to your library without any manual typing, significantly improving accuracy and streamlining SDS management. Keep your SDS library updated, organized, and ready for quick access in a secure cloud environment.

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.

Chemical Safety provides a complete suite of safety and environmental software applications. GHS Labeling, Safety Data sheets, Chemical Inventory Tracking and Hazardous Waste Management are just a few of the features.

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.

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.

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.

Share and store live analytical data from any technique or data format. ACD/ChemAnalytical Workbook allows you to centralize your analytic data. All data formats and techniques can be managed in one application. A database of analytical data can be created using LC/MS, GGC/MS, 1D and 2D NMR, UV, and IR. Analytical data from all major instrument vendors can be imported, processed, and interpreted. Connect structure(s), interpretation information, and spectra and/or chromatograms. You can search the database using a variety spectral, textual, numerical, and structural criteria. All sample characterization results can be reported from one interface.

LabCup is an all-encompassing enterprise system designed for chemical inventory management and laboratory administration in both industrial and academic research settings. Offering a comprehensive suite of software solutions tailored for laboratories and research institutions, LabCup includes features such as full chemical inventory management, risk assessment tools (including COSHH), equipment reservation, and asset tracking, along with real-time emergency information. Its extensive functionalities are modular, allowing users to select only the features they need, and it operates in the cloud, making it accessible on any device. Engineered with user-friendliness in mind, LabCup streamlines administrative tasks and automates various procedures; it efficiently integrates chemical data—including Safety Data Sheets (SDS), Globally Harmonized System (GHS) information, synonyms, molecular structures, and emergency protocols—into its system. Each chemical and item is distinctly identified and monitored through barcodes or IDs. Furthermore, LabCup supports multiple operational processes, encompassing COSHH risk assessments, equipment and room bookings, training documentation, a digital fire registry, purchasing management, radioactive materials tracking, and much more, making it an invaluable tool for laboratories aiming to enhance their efficiency and safety.

BIOVIA COSMO-RS serves as an extensive toolkit for modeling and forecasting fluid phase characteristics, which empowers professionals such as chemical engineers, chemists, formulation experts, and materials scientists to innovate and develop solutions more rapidly and effectively than relying solely on traditional testing and experimentation methods, thereby enhancing innovation while minimizing costs. The simulations conducted using COSMO-RS are grounded in a solid scientific framework, guaranteeing dependable predictions across the entire spectrum of liquid-state chemistry. By employing a first-principle methodology, it is capable of forecasting the properties of new compounds that have yet to be synthesized, pushing the boundaries of known chemical territory. The team behind BIOVIA consists of the original creators of COSMO-RS, providing prompt assistance and unparalleled expertise to tackle even the most complex challenges in solution thermodynamics. Additionally, the primary advantages encompass a solid scientific basis that merges quantum chemistry with thermodynamics to assure both accuracy and reliability, fostering a deeper understanding of fluid behaviors in various contexts. This comprehensive approach not only streamlines the research process but also opens up new avenues for exploration within the field.

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.

Expert algorithms can help you to understand complex structures using experimental data.

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.

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.

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.

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.

All mass spectral data management and analysis can be done with one software. Quickly identify, distinguish, identify, characterize, and characterize components. ACD/MS Workbook suite is an all-in one package for MS data management. You can process MS, LC/MS and GC/MS data that you have acquired using instruments from any major vendor. Auto-annotate peaks, and associate them with compound structure. Search databases for spectral matches and deconvolute spectra to identify unknowns. Make spectral databases that are easily searchable and shareable.

Chemical Watch stands out as the premier global source of unbiased intelligence and insights tailored for professionals in product safety who handle chemicals. Recognized as the most esteemed network for chemical safety and regulatory intelligence worldwide, it serves as a reliable ally for a diverse community of businesses, regulators, and various stakeholders. By becoming part of the Chemical Watch community, you can enhance your business's capabilities significantly. We offer a thorough and organized solution for product compliance data that spans regulations from all jurisdictions, accompanied by legal documentation, expert evaluations, and concise summaries. Participate in our virtual conferences, which feature interactive Q&A sessions, themed networking tables where you can consult experts, and engaging presentations, all from the convenience of your own space. In addition, you can connect with other participants and speakers in dedicated virtual networking sections, replicating the experience of a live event and fostering valuable relationships in the industry. This unique combination of resources and networking opportunities makes Chemical Watch an essential component of your professional toolkit.

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.

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.

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.

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.

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.

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.

Multi-technique, vendor-neutral analytical data processing. All data types can be analyzed and reported using one interface. With built-in tools for processing and interpretation, you can quickly extract results. Search commercial or in-house spectral libraries.

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.

CLADE is transforming the field of bioanalytics by streamlining the intricate processes involved in chemical analysis through an innovative blend of chemometrics and cutting-edge spectroscopic technologies. This approach yields swift, precise, and consistent results, allowing for the conversion of liquid samples into digital fingerprints in only four minutes. Central to CLADE's offering is the MIRA Analyzer, which captures highly accurate mid-infrared spectra of aqueous samples using a transmission mode across the analytically significant wavenumber range. MIRA boasts automated functionalities such as sample and reference injection, atmospheric correction, optical path length measurement, and comprehensive system cleaning and rinsing, all of which contribute to exceptional data integrity. Additionally, CLADE provides the Sphere, a cloud-based platform that enhances the user experience in bioanalytics by simplifying data management and analysis. The synergy between MIRA and Sphere enables researchers to achieve unprecedented efficiency and reliability in their analytical workflows.

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.

Chemwatch stands out as a global frontrunner in the realm of chemical safety and management solutions, providing an extensive array of software and services that simplify the processes involved in chemical management. Their innovative platform grants users access to the largest repository of Safety Data Sheets (SDS) in the world, featuring over 140 million entries that guarantee compliance and safety through up-to-date information. Notable functionalities encompass SDS management, creation of chemical registers and manifests, conducting risk assessments, labeling, and generating reports. Catering to diverse organizational requirements, Chemwatch's software offerings, including BackPack, GoldFFX, and Chemeritus, are designed for a broad spectrum of users, from small startups to major corporations, and are offered in 49 different languages. Furthermore, the platform seamlessly integrates with RFID asset management systems, facilitating the effective tracking of both chemical and non-chemical assets over their entire lifecycle. With a solid foundation of over three decades of industry experience, Chemwatch proudly supports more than 5,000 organizations globally, among which are 20 of the top 50 companies listed in the Fortune 500. This expansive reach and commitment to safety and compliance solidify Chemwatch's reputation as a trusted partner in chemical management.

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.

Streamline your COSHH Risk Assessments and Safety Data Sheets with ease. Our innovative software is designed to help you organize your chemical safety protocols while ensuring compliance. Just provide us with a list of the products in your inventory, and we’ll handle the rest, making Safety Data Sheet management effortless. We collaborate with you to develop tailored COSHH Risk Assessment templates that suit the specific needs of your organization. Through our online platform, you can generate chemical safety reports that can be easily shared with all team members across your business. Chemdoc is a chemical safety management tool that not only saves you valuable time but also reduces costs. By directly obtaining Safety Data Sheets from manufacturers on your behalf, Chemdoc empowers those responsible for chemical safety with the resources to create customized, compliant COSHH Risk Assessments, ensuring the well-being of your workforce while adhering to necessary regulations. This comprehensive solution aims to enhance safety and efficiency within your organization, allowing you to focus on what truly matters.

We offer a comprehensive solution that ensures your team has all the necessary chemical information to work safely and sustainably. Just provide us with a list of your products, and we'll handle everything else for you. Our unique service allows unlimited user access to Safety Data Sheets (SDSs), documents, and vital data from any location worldwide, supporting over 128 languages. We will match your product list with the latest SDS, source these sheets directly from manufacturers, and extract essential information such as GHS classification and labeling details. Our highly acclaimed Environmental Health and Safety (EHS) call center is available around the clock to assist with various inquiries, whether they involve simple SDS requests or urgent emergency response needs, including chemical spills and poison exposures. By effectively informing employees and downstream customers about potential chemical risks and the necessary protective measures, we help promote a safer working environment. Additionally, our commitment to sustainability ensures that your operations are not only compliant but also responsible towards the environment.

REACH Factory is a cloud-based, all-in-one software platform that supports the chemical manufacturing industry. It consists of an embedded regulatory knowledge database on more than 380 international regulations and 300,000. chemical substances, MAT Factory; an SDS creation/management module, SDS Factory; a chemical risks management and ICPE/SEVESO status modules, SAFE Factory; and a substance trackability in articles module SVHC Factory. This allows you to address multiple issues in one solution without the need for integration and provides control over user access.

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.

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.

CHEMDOX® software supports regulatory experts on all aspects of hazardous material management: Chemical Management Safety Data Sheet (SDS/MSDS) Authoring Safety Data Sheet (SDS), Translation - Hazard Labeling GHS Compliance Safety Data Sheets (SDS) Distribution CHEMDOX® supports high quality classifications with strong regulatory contents and includes classification calculators to all included regulations. CHEMDOX® automates and performs many hazardous materials management tasks with database support.

CDD Vault allows you to intuitively organize chemical structures, biological study data, as well as collaborate with external or internal partners via a simple web interface. Start a free trial to see how easy it can be to manage drug discovery data. Tailored for You Affordable Scales with your project team Activity & Registration * Electronic Lab Notebook * Visualization * Inventory * APIs

Vertére Inventory Manager: Smart Inventory for Scientific & Industrial Labs Vertére Inventory Manager is a robust, configurable platform for managing chemicals, lab supplies, equipment, and assets. Built for labs, research institutions, universities, and industrial environments, Vertére centralizes inventory data, improves safety, and streamlines compliance through intuitive, barcode-based workflows. With 30+ years of experience, Vertére supports complex lab operations with purpose-built modules: Chemical Inventory (ChIM): Barcode-level tracking, hazard classification, expiration alerts, and compliance reporting. Lab Supply Management: Manage consumables, reorder thresholds, stockroom workflows, and purchasing history. Equipment & Asset Tracking: Assign and track lab instruments with maintenance logs and calibration records. Chemical Waste Management: Track waste containers, accumulation dates, and generate EPA/DOT-compliant reports. SDS Management: Access a comprehensive, up-to-date SDS library directly within the platform. User Permissions & Access: Control visibility with role-based access, department segmentation, SSO, and 2FA. Key Benefits: ✔ Real-time visibility and control ✔ Centralized chemical safety and SDS access ✔ Scalable for single labs or multi-site institutions ✔ Flexible cloud or on-premise deployment Trusted by universities, government agencies, and Fortune 500 R&D teams. Vertére Inventory Manager: Inventory Made Simple

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.

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.

Automated logbook solution that includes emailing, reminders spell check, attachments, full audit trail and offline capabilities. This software is used for shift-turnovers and rounds/readings, production tracking, environmental and compliance reporting, as well as workflow and production tracking. eLogger replaces disconnected systems and paper log books-collecting, storing and distributing real-time operational information immediately. Our clients include some of the most prominent industry leaders in power generation and electric, gas, and wastewater utilities, water/wastewater treatments, chemical, oil refining and biotech.

MixIT represents a cutting-edge collaborative tool for mixing analysis and scale-up, intended to streamline thorough assessments of stirred tank systems by integrating lab and plant data, empirical correlations, and sophisticated 3D computational fluid dynamics (CFD) models. This innovative platform merges knowledge management capabilities with mixing science, allowing for enterprise-wide deployment in a cohesive environment. Users can easily create, modify, and share intricate details about geometry, operating conditions, plant data, as well as experimental and CFD results among a global network of collaborators. The tool enables the design of reactors tailored to meet specific mixing performance criteria, facilitating rapid selection and performance comparison of various reactor types. From the initial design phase through to analysis and report generation, it allows for fully automated 3D CFD flow simulations of stirred reactors, including tracer studies and assessments of heat transfer. Ultimately, MixIT revolutionizes the approach to mixing analysis by offering a comprehensive suite of features for enhanced collaboration and efficiency in reactor design.

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

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.

Leading the charge in software solutions tailored for safety and compliance experts, SBN Inspect+ delivers fully customizable checklists and proactive issue tracking capabilities, all designed for field use. This inspection management software empowers you to adapt inspections according to your unique business needs. Our user-friendly web portal grants you the autonomy to manage your checklist content and disseminate it throughout your entire organization seamlessly. With features such as advanced issue tagging, automated alerts, and personalized dashboards, you’ll acquire comprehensive, actionable insights derived from reliable field inspection data. Whether your goal is to adhere to OSHA and ISO regulations or fulfill internal policies, we're here to assist you in crafting the ideal inspection checklist. Tailor your checklists effectively to avoid wasting time on unnecessary data collection, as a diverse array of question types offers the flexibility needed to capture essential information efficiently. By utilizing our platform, you can enhance your operational efficiency and ensure that every inspection is thorough and relevant.