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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Bibliographic Details
Published in:Bioinformatics
Main Authors: Wu, Jiansheng, Zhang, Qiuming, Wu, Weijian, Pang, Tao, Hu, Haifeng, Chan, Wallace K B, Ke, Xiaoyan, Zhang, Yang
Format: Artigo
Language:Inglês
Published: Oxford University Press 2018
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Original Papers
Online Access: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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