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

Internet

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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