Open AccessSHAP-based tools for ADMET compounds profiling on the example of metabolic stability optimization
Author(s) -
Sabina Podlewska,
Agnieszka Wojtuch,
Rafał Jankowski
Publication year - 2021
Publication title -
proceedings of 7th international electronic conference on medicinal chemistry
Language(s) - English
Resource type - Conference proceedings
DOI - 10.3390/ecmc2021-11379
Subject(s) - chembl , metabolic stability , in silico , profiling (computer programming) , computer science , stability (learning theory) , drug discovery , combinatorial chemistry , chemistry , machine learning , computational biology , biology , biochemistry , in vitro , gene , operating system