Implications of Additivity and Nonadditivity for Machine Learning and Deep Learning Models in Drug Design

[Image: see text] Matched molecular pairs (MMPs) are nowadays a commonly applied concept in drug design. They are used in many computational tools for structure–activity relationship analysis, biological activity prediction, or optimization of physicochemical properties. However, until now it has no...

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Detalles Bibliográficos
Autores principales: Kwapien, Karolina, Nittinger, Eva, He, Jiazhen, Margreitter, Christian, Voronov, Alexey, Tyrchan, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9352238/
https://www.ncbi.nlm.nih.gov/pubmed/35936431
http://dx.doi.org/10.1021/acsomega.2c02738

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9352238/
https://www.ncbi.nlm.nih.gov/pubmed/35936431
http://dx.doi.org/10.1021/acsomega.2c02738

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