Accelerating the optimization of the structural idea presentation system "Transformer"
Based on the substitution knowledge obtained through MMP analysis, we present structural modification ideas!
"Transformer" is an idea presentation system that transforms input structures based on rules and automatically generates structures that have never been conceived before. It demonstrates its power in the compound design phase of structure optimization, such as when wanting to improve physical property values like the solubility of lead compounds or change biochemical properties against a target. In addition to having EMIL implemented as the standard for structure transformation rules, it can also import and utilize data from the ChEMBL database and compound libraries accumulated by customers in-house. 【Features】 ■ Transforms input structures based on rules ■ Demonstrates power in compound design during the structure optimization phase ■ EMIL is implemented as the standard for structure transformation rules ■ Can import and utilize data from the ChEMBL database and compound libraries accumulated by customers in-house *For more details, please refer to the related links or feel free to contact us.
- Company：パトコア
- Price：Other
