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1 Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energies [期刊论文]

来源：Journal of Cheminformatics , 2019

作者:Gisbert Schneider, Christoph A. Bauer, Andreas H. Göller

关键词:Computational chemistry;Density functional theory;...

使用许可:CC BY

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2 Cheminformatics approach to exploring and modeling trait-associated metabolite profiles [期刊论文]

来源：Journal of Cheminformatics , 2019

作者:Denis Fourches;Melaine A. Kuenemann;Jeremy R. Ash;等

关键词:Metabolomics;Data mining;...

使用许可:CC BY

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3 GCAC: galaxy workflow system for predictive model building for virtual screening [期刊论文]

来源：BMC Bioinformatics , 2019

作者:Anmol J. Hemrom, Andrew M. Lynn, Deepak R. Bharti

关键词:Predictive model building;Reproducible results;...

使用许可:CC BY

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