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.
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【Other Features】 - Instantly create an R group table by organizing common structural parts and substituents. - Calculate physical property values and quickly graph them along with activity values (linked to structural information). - Output the R group table to EXCEL or WORD for efficient report creation (supports command line options and can integrate with other software). *For more details, please refer to the related links or feel free to contact us.
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For more details, please refer to the related links or feel free to contact us.
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Patocoa Inc. is a specialized company in drug discovery support systems. Additionally, we focus on improving and streamlining compliance-related operations concerning regulated substances, and we have provided various solutions to pharmaceutical companies, chemical companies, universities, and government agencies. We contribute to accelerating drug discovery and reducing costs with our cutting-edge chemoinformatics systems.