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Predictive structure-based toxicology approaches to assess the androgenic potential of chemicals
We present a practical and easy-to-run in silico workflow exploiting a structure-based strategy making use of docking simulations to derive highly predictive classification models of the androgenic potential of chemicals. Models were trained on a high-quality chemical collection comprising 1689 cura...
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| 發表在: | J Chem Inf Model |
|---|---|
| Main Authors: | , , , , , , |
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
2017
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6691737/ https://ncbi.nlm.nih.gov/pubmed/29022712 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.7b00420 |
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