Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process

BACKGROUND: QSAR is an established and powerful method for cheap in silico assessment of physicochemical properties and biological activities of chemical compounds. However, QSAR models are rather complex mathematical constructs that cannot easily be interpreted. Medicinal chemists would benefit fro...

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Detalles Bibliográficos
Autores principales: Sushko, Yurii, Novotarskyi, Sergii, Körner, Robert, Vogt, Joachim, Abdelaziz, Ahmed, Tetko, Igor V
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2014
Materias:
Methodology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4272757/
https://www.ncbi.nlm.nih.gov/pubmed/25544551
http://dx.doi.org/10.1186/s13321-014-0048-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4272757/
https://www.ncbi.nlm.nih.gov/pubmed/25544551
http://dx.doi.org/10.1186/s13321-014-0048-0

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