Interpretation of Ligand-Based Activity Cliff Prediction Models Using the Matched Molecular Pair Kernel

Activity cliffs (ACs) are formed by two structurally similar compounds with a large difference in potency. Accurate AC prediction is expected to help researchers’ decisions in the early stages of drug discovery. Previously, predictive models based on matched molecular pair (MMP) cliffs have been pro...

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Detalles Bibliográficos
Autores principales: Tamura, Shunsuke, Jasial, Swarit, Miyao, Tomoyuki, Funatsu, Kimito
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8401777/
https://www.ncbi.nlm.nih.gov/pubmed/34443503
http://dx.doi.org/10.3390/molecules26164916

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8401777/
https://www.ncbi.nlm.nih.gov/pubmed/34443503
http://dx.doi.org/10.3390/molecules26164916

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