Computational method for the identification of third generation activity cliffs

In medicinal chemistry and chemoinformatics, activity cliffs (ACs) are defined as pairs of structurally similar compounds that are active against the same target but have a large difference in potency. Accordingly, ACs are rich in structure-activity relationship (SAR) information, which rationalizes...

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Detalles Bibliográficos
Autores principales: Stumpfe, Dagmar, Hu, Huabin, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6974786/
https://www.ncbi.nlm.nih.gov/pubmed/31993342
http://dx.doi.org/10.1016/j.mex.2020.100793

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6974786/
https://www.ncbi.nlm.nih.gov/pubmed/31993342
http://dx.doi.org/10.1016/j.mex.2020.100793

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