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Nonadditivity in public and inhouse data: implications for drug design

Numerous ligand-based drug discovery projects are based on structure-activity relationship (SAR) analysis, such as Free-Wilson (FW) or matched molecular pair (MMP) analysis. Intrinsically they assume linearity and additivity of substituent contributions. These techniques are challenged by nonadditiv...

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Detalles Bibliográficos
Autores principales:	Gogishvili, D., Nittinger, E., Margreitter, C., Tyrchan, C.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2021
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8254291/ https://www.ncbi.nlm.nih.gov/pubmed/34215341 http://dx.doi.org/10.1186/s13321-021-00525-z

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