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Predicting protein-ligand interactions based on bow-pharmacological space and Bayesian additive regression trees

Identifying potential protein-ligand interactions is central to the field of drug discovery as it facilitates the identification of potential novel drug leads, contributes to advancement from hits to leads, predicts potential off-target explanations for side effects of approved drugs or candidates,...

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Detalles Bibliográficos
Autores principales: Li, Li, Koh, Ching Chiek, Reker, Daniel, Brown, J. B., Wang, Haishuai, Lee, Nicholas Keone, Liow, Hien-haw, Dai, Hao, Fan, Huai-Meng, Chen, Luonan, Wei, Dong-Qing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6531441/
https://www.ncbi.nlm.nih.gov/pubmed/31118426
http://dx.doi.org/10.1038/s41598-019-43125-6