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Systematic identification of target set-dependent activity cliffs

AIM: Generating a knowledge base of new activity cliffs (ACs) defined on the basis of compound set-dependent potency distributions, also taking confirmed inactive compounds into account. METHODOLOGY: Different AC definitions, representations and search criteria were rationalized and applied. DATA: F...

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Detalles Bibliográficos
Autores principales:	Hu, Huabin, Stumpfe, Dagmar, Bajorath, Jürgen
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Future Science Ltd 2019
Materias:	Data Note
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6391634/ https://www.ncbi.nlm.nih.gov/pubmed/30828462 http://dx.doi.org/10.4155/fsoa-2018-0089

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