Uncovering activity cliff generators using distribution of SALI values

Activity cliffs are defined as compounds with high structure similarity but large potency difference. Identification ofactivity cliffs have a significant impact in lead optimization in medicinal chemistry, and computational applicationssuch as the development of predictive models and the selection o...

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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Tip Revista Especializada en Ciencias Químico-Biológicas
Prif Awduron: José L. Medina-Franco, Karina Martinez-Mayorga
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Universidad Nacional Autónoma de México 2018
Pynciau:
Biología
GRK6
Structure
Activity cliff
Activity Landscape Index
consensus activity landscape
Mynediad Ar-lein:https://www.redalyc.org/articulo.oa?id=43253401002
https://www.redalyc.org/journal/432/43253401002/
https://www.redalyc.org/journal/432/43253401002/html/
https://www.redalyc.org/journal/432/43253401002/43253401002.epub
https://www.redalyc.org/journal/432/43253401002/movil
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