All-Assay-Max2 pQSAR: Activity Predictions as Accurate as Four-Concentration IC

Autor:	Eric J, Martin, Valery R, Polyakov, Xiang-Wei, Zhu, Li, Tian, Prasenjit, Mukherjee, Xin, Liu
Rok vydání:	2019
Předmět:	Machine Learning Inhibitory Concentration 50 Logistic Models Dose-Response Relationship Drug Models Chemical Drug Discovery Proteins Quantitative Structure-Activity Relationship Biological Assay Algorithms
Zdroj:	Journal of chemical information and modeling. 59(10)
ISSN:	1549-960X
Popis:	Profile-quantitative structure-activity relationship (pQSAR) is a massively multitask, two-step machine learning method with unprecedented scope, accuracy, and applicability domain. In step one, a "profile" of conventional single-assay random forest regression models are trained on a very large number of biochemical and cellular pIC
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=pmid________::459074c83d6aafcb85b9c2151043c097 https://pubmed.ncbi.nlm.nih.gov/31518124 Zobrazit plný text záznamu