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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...
Autores principales: | Hu, Ye, de la Vega de León, Antonio, Zhang, Bijun, Bajorath, Jürgen |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
F1000Research
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3945766/ https://www.ncbi.nlm.nih.gov/pubmed/24627802 http://dx.doi.org/10.12688/f1000research.3-36.v2 |
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