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Bioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data sets
BACKGROUND: Assessing compound toxicity at early stages of the drug discovery process is a crucial task to dismiss drug candidates likely to fail in clinical trials. Screening drug candidates against structural alerts, i.e. chemical fragments associated to a toxicological response prior or after bei...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4779235/ https://www.ncbi.nlm.nih.gov/pubmed/26949417 http://dx.doi.org/10.1186/s13321-016-0125-7 |