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Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process
BACKGROUND: QSAR is an established and powerful method for cheap in silico assessment of physicochemical properties and biological activities of chemical compounds. However, QSAR models are rather complex mathematical constructs that cannot easily be interpreted. Medicinal chemists would benefit fro...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4272757/ https://www.ncbi.nlm.nih.gov/pubmed/25544551 http://dx.doi.org/10.1186/s13321-014-0048-0 |