No need to provide the skeleton as a list in advance! It is automatically generated from the read chemical structure.
"SARvision SM" is software that supports the examination of structure-activity relationships, which is one of the important tasks for chemists. With its unique Maximum Common Substructure (MCS) extraction engine, it can classify chemical structure data by skeleton, making SAR analysis easier. Skeleton-based data mining allows for evaluations that are closer to the 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 that allows for routine and easy execution of bivalent ligand SAR studies. For details, please see the product page. 【Features】 ■ Automatically extracts common substructures from structural formula groups and presents a tree classified by skeleton ■ Sort skeletons by physical properties or activity data, and dynamically filter 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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Patocoa Inc. is a specialized company in drug discovery support systems. We are also focused on improving and streamlining compliance-related operations concerning regulated substances, and we have provided various solutions primarily to pharmaceutical companies, as well as chemical companies, universities, and government agencies. We contribute to accelerating drug discovery and reducing costs with our cutting-edge cheminformatics systems.