DeepCOMO: from structure-activity relationship diagnostics to generative molecular design using the compound optimization monitor methodology

The compound optimization monitor (COMO) approach was originally developed as a diagnostic approach to aid in evaluating development stages of analog series and progress made during lead optimization. COMO uses virtual analog populations for the assessment of chemical saturation of analog series and...

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Detalles Bibliográficos
Autores principales: Yonchev, Dimitar, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2020
Materias:
Perspective
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7595974/
https://www.ncbi.nlm.nih.gov/pubmed/33015739
http://dx.doi.org/10.1007/s10822-020-00349-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7595974/
https://www.ncbi.nlm.nih.gov/pubmed/33015739
http://dx.doi.org/10.1007/s10822-020-00349-3

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