Skeletal classification, SAR analysis support tool 'SARvision SM'
No need to provide the skeleton as a list in advance! It is automatically generated from the imported chemical structure.
"SARvision SM" is software that supports chemists in one of their important tasks: the examination of structure-activity relationships. With its unique Maximum Common Substructure (MCS) extraction engine, it can classify chemical structure data by scaffold, making SAR analysis easier. Scaffold-based data mining allows for evaluations that are closer to a chemist's intuition compared to descriptor-based clustering, proving effective in assessing screening data and formulating synthetic strategies during the Hit to Lead and lead optimization stages. 【NEW!】 A PROTAC analysis module has been released, allowing for routine and easy execution of SAR studies for bivalent ligands. For details, please visit the product page. 【Features】 ■ Automatically extracts common substructures from a group of structural formulas and presents a tree classified by scaffold. ■ Sorts scaffolds by physical properties or activity data, and allows dynamic filtering using sliders. ■ Rich graphic features (bar graphs, 2D scatter plots, 3D scatter plots). *For more information, please refer to the related links or feel free to contact us.
- Company:パトコア
- Price:Other