Ontology highlight
ABSTRACT:
SUBMITTER: Mochizuki M
PROVIDER: S-EPMC6394530 | biostudies-literature | 2019 Feb
REPOSITORIES: biostudies-literature
Mochizuki Masahiro M Suzuki Shogo D SD Yanagisawa Keisuke K Ohue Masahito M Akiyama Yutaka Y
Molecular diversity 20180703 1
Druglikeness is a useful concept for screening drug candidate compounds. We developed QEX, which is a new druglikeness index specific to individual targets. QEX is an improvement of the quantitative estimate of druglikeness (QED) method, which is a popular quantitative evaluation method of druglikeness proposed by Bickerton et al. QEX models the physicochemical properties of compounds that act on each target protein based on the concept of QED modeling physicochemical properties from information ...[more]