OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds
Jiacai Yi, Shaohua Shi, Li Fu, Ziyi Yang, Pengfei Nie, Aiping Lü, Chengkun Wu, Yafeng Deng, Chang‐Yu Hsieh, Xiangxiang Zeng, Tingjun Hou, Dongsheng Cao
Topics & Concepts
Computer scienceTransformation (genetics)Process (computing)Drug discoverySubstructureComputational biologyLead (geology)Web siteDrug targetBiochemical engineeringData miningCombinatorial chemistryChemistryBioinformaticsEngineeringBiologyProgramming languageThe InternetPaleontologyGeneBiochemistryStructural engineeringWorld Wide WebComputational Drug Discovery MethodsChemistry and Chemical EngineeringMachine Learning in Materials Science