Comprehensive ensemble in QSAR prediction for drug discovery

Background Quantitative structure-activity relationship (QSAR) is a computational modeling method for revealing relationships between structural properties of chemical compounds and biological activities. QSAR modeling is essential for drug discovery, but it has many constraints. Ensemble-based mach...

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Vydané v:	BMC bioinformatics Ročník 20; číslo 1; s. 521 - 12
Hlavní autori:	Kwon, Sunyoung, Bae, Ho, Jo, Jeonghee, Yoon, Sungroh
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	London BioMed Central 26.10.2019 BMC
Predmet:	Algorithms Bioinformatics Biomedical and Life Sciences Computational Biology/Bioinformatics Computer Appl. in Life Sciences Drug Discovery - methods Drug-prediction Ensemble-learning Life Sciences Machine Learning Machine Learning and Artificial Intelligence in Bioinformatics Meta-learning Methodology Methodology Article Microarrays Quantitative Structure-Activity Relationship Ensemble-learning Drug-prediction Meta-learning
ISSN:	1471-2105, 1471-2105
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