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Description

Site-Identification by Ligand Competitive Saturation (SILCS) produces three-dimensional maps, known as FragMaps, that illustrate how different chemical functional groups interact with a specific target molecule. By revealing the complexities of molecular dynamics, SILCS offers tools that enhance the optimization of ligand scaffolds through both qualitative and quantitative insights into binding pockets, thereby streamlining the drug design process. This approach employs a range of small molecule probes, each featuring diverse functional groups, alongside explicit solvent modeling and accommodating the flexibility of the target molecule to effectively map protein targets. Furthermore, the technique allows researchers to visualize advantageous interactions with the target macromolecule. With these insights, scientists can strategically design improved ligands with functional groups situated in optimal positions for enhanced efficacy. The innovative nature of SILCS represents a significant advancement in the field of medicinal chemistry.

Description

alvaMolecule serves as a no-code cheminformatics platform designed to visualize, curate, and standardize molecular datasets in preparation for analysis. It accommodates popular molecular formats, including SMILES and SDF/MOL2, allowing users to navigate through collections in either grid or spreadsheet formats, with automatic import of relevant data. This tool ensures structure verification and standardization via pre-set standardizers and customizable SMIRKS rules, facilitates the identification and management of duplicates, and provides scaffold analysis for summarizing fundamental frameworks. Additionally, it features integrated filters and charting options that allow sorting based on substructures, calculated molecular descriptors, and physicochemical properties. alvaMolecule is capable of calculating around 88 structural and physicochemical properties, which encompass drug-like and lead-like scores such as LogP, TPSA, and the Lipinski alert index, ultimately assisting users in generating high-quality datasets for QSAR/QSPR modeling, descriptor calculations, and virtual screening processes. Furthermore, its user-friendly interface ensures that researchers, regardless of their coding expertise, can easily navigate and utilize the tool to enhance their cheminformatics tasks effectively.

API Access

Has API No 

API Access

Has API No 

Screenshots View All

Screenshots View All

Integrations

No details available.

Integrations

No details available.

Pricing Details

No price information available.
Free Trial No 
Free Version No 

Pricing Details

No price information available.
Free Trial Yes 
Free Version Yes 

Deployment

Web-Based Yes 
On-Premises No 
iPhone App No 
iPad App No 
Android App No 
Windows No 
Mac No 
Linux No 
Chromebook No 

Deployment

Web-Based No 
On-Premises No 
iPhone App No 
iPad App No 
Android App No 
Windows Yes 
Mac Yes 
Linux Yes 
Chromebook No 

Customer Support

Business Hours Yes 
Live Rep (24/7) No 
Online Support Yes 

Customer Support

Business Hours No 
Live Rep (24/7) No 
Online Support Yes 

Types of Training

Training Docs Yes 
Webinars No 
Live Training (Online) No 
In Person No 

Types of Training

Training Docs Yes 
Webinars Yes 
Live Training (Online) No 
In Person No 

Vendor Details

Company Name

SilcsBio

Founded

2012

Country

United States

Website

silcsbio.com/software/

Vendor Details

Company Name

Alvascience

Founded

2018

Country

Italy

Website

www.alvascience.com

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