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3D Chemical Similarity Networks for Structure-Based Target Prediction and Scaffold Hopping

Target identification remains a major challenge for modern drug discovery programs aimed at understanding the molecular mechanisms of drugs. Computational target prediction approaches like 2D chemical similarity searches have been widely used but are limited to structures sharing high chemical simil...

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Detalhes bibliográficos
Publicado no:ACS Chem Biol
Main Authors: Lo, Yu-Chen, Senese, Silvia, Damoiseaux, Robert, Torres, Jorge Z.
Formato: Artigo
Idioma:Inglês
Publicado em: 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5511031/
https://ncbi.nlm.nih.gov/pubmed/27285961
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acschembio.6b00253
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