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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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:ACS Chem Biol
Prif Awduron: Lo, Yu-Chen, Senese, Silvia, Damoiseaux, Robert, Torres, Jorge Z.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2016
Pynciau:
Mynediad Ar-lein: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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