Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic Ligands

[Image: see text] A plethora of similarity-based, network-based, machine learning, docking and hybrid approaches for predicting the macromolecular targets of small molecules are available today and recognized as valuable tools for providing guidance in early drug discovery. With the increasing matur...

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Detalles Bibliográficos
Autores principales: Chen, Ya, Mathai, Neann, Kirchmair, Johannes
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7312400/
https://www.ncbi.nlm.nih.gov/pubmed/32368908
http://dx.doi.org/10.1021/acs.jcim.0c00161

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7312400/
https://www.ncbi.nlm.nih.gov/pubmed/32368908
http://dx.doi.org/10.1021/acs.jcim.0c00161

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