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ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation
BACKGROUND: Molecular descriptors and fingerprints have been routinely used in QSAR/SAR analysis, virtual drug screening, compound search/ranking, drug ADME/T prediction and other drug discovery processes. Since the calculation of such quantitative representations of molecules may require substantia...
| Autores principales: | , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4674923/ https://www.ncbi.nlm.nih.gov/pubmed/26664458 http://dx.doi.org/10.1186/s13321-015-0109-z |