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Matched molecular pair-based data sets for computer-aided medicinal chemistry

Matched molecular pairs (MMPs) are widely used in medicinal chemistry to study changes in compound properties including biological activity, which are associated with well-defined structural modifications. Herein we describe up-to-date versions of three MMP-based data sets that have originated from...

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Detalhes bibliográficos
Main Authors: Hu, Ye, de la Vega de León, Antonio, Zhang, Bijun, Bajorath, Jürgen
Formato: Artigo
Idioma:Inglês
Publicado em: F1000Research 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3945766/
https://ncbi.nlm.nih.gov/pubmed/24627802
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.12688/f1000research.3-36.v2
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