Open AccessComputer-aided prediction of biological activity spectra for chemical compounds: opportunities and limitation
Author(s) -
Дмитрий Алексеевич Филимонов,
Dmitry S. Druzhilovskiy,
Alexey Lagunin,
Tatyana A. Gloriozova,
А. В. Рудик,
А. В. Дмитриев,
Pavel Pogodin,
Vladimir Poroikov
Publication year - 2018
Publication title -
biomedical chemistry: research and methods
Language(s) - English
Resource type - Journals
ISSN - 2618-7531
DOI - 10.18097/bmcrm00004
Subject(s) - biological activity , quantitative structure–activity relationship , bayes' theorem , computer science , naive bayes classifier , set (abstract data type) , molecular descriptor , training set , biological system , artificial intelligence , machine learning , computational biology , chemistry , support vector machine , biology , biochemistry , bayesian probability , in vitro , programming language