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[COMMODE] a large-scale database of molecular descriptors using compounds from PubChem
BACKGROUND: Molecular descriptors have been extensively used in the field of structure-oriented drug design and structural chemistry. They have been applied in QSPR and QSAR models to predict ADME-Tox properties, which specify essential features for drugs. Molecular descriptors capture chemical and...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3831596/ https://www.ncbi.nlm.nih.gov/pubmed/24225386 http://dx.doi.org/10.1186/1751-0473-8-22 |