Exploring differential evolution for inverse QSAR analysis

Inverse quantitative structure-activity relationship (QSAR) modeling encompasses the generation of compound structures from values of descriptors corresponding to high activity predicted with a given QSAR model. Structure generation proceeds from descriptor coordinates optimized for activity predict...

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Detalles Bibliográficos
Autores principales: Miyao, Tomoyuki, Funatsu, Kimito, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: F1000Research 2017
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5580410/
https://www.ncbi.nlm.nih.gov/pubmed/28928936
http://dx.doi.org/10.12688/f1000research.12228.2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5580410/
https://www.ncbi.nlm.nih.gov/pubmed/28928936
http://dx.doi.org/10.12688/f1000research.12228.2

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