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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Vydáno v:Bioinformatics
Hlavní autoři: Wu, Jiansheng, Zhang, Qiuming, Wu, Weijian, Pang, Tao, Hu, Haifeng, Chan, Wallace K B, Ke, Xiaoyan, Zhang, Yang
Médium: Artigo
Jazyk:Inglês
Vydáno: Oxford University Press 2018
Témata:
Original Papers
On-line přístup: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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