WDL-RF: predicting bioactivities of ligand molecules acting with G protein-coupled receptors by combining weighted deep learning and random forest

MOTIVATION: Precise assessment of ligand bioactivities (including IC(50), EC(50), K(i), K(d), etc.) is essential for virtual screening and lead compound identification. However, not all ligands have experimentally determined activities. In particular, many G protein-coupled receptors (GPCRs), which...

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Detalhes bibliográficos
Publicado no:Bioinformatics
Main Authors: Wu, Jiansheng, Zhang, Qiuming, Wu, Weijian, Pang, Tao, Hu, Haifeng, Chan, Wallace K B, Ke, Xiaoyan, Zhang, Yang
Formato: Artigo
Idioma:Inglês
Publicado em: Oxford University Press 2018
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Original Papers
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6355101/
https://ncbi.nlm.nih.gov/pubmed/29432522
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/bty070
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