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In silico toxicology: comprehensive benchmarking of multi‐label classification methods applied to chemical toxicity data

One goal of toxicity testing, among others, is identifying harmful effects of chemicals. Given the high demand for toxicity tests, it is necessary to conduct these tests for multiple toxicity endpoints for the same compound. Current computational toxicology methods aim at developing models mainly to...

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Pubblicato in:Wiley Interdiscip Rev Comput Mol Sci
Autori principali: Raies, Arwa B., Bajic, Vladimir B.
Natura: Artigo
Lingua:Inglês
Pubblicazione: Wiley Periodicals, Inc. 2017
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC5947741/
https://ncbi.nlm.nih.gov/pubmed/29780432
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/wcms.1352
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