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Revealing cytotoxic substructures in molecules using deep learning
In drug development, late stage toxicity issues of a compound are the main cause of failure in clinical trials. In silico methods are therefore of high importance to guide the early design process to reduce time, costs and animal testing. Technical advances and the ever growing amount of available t...
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| 出版年: | J Comput Aided Mol Des |
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| 主要な著者: | , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Springer International Publishing
2020
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7292813/ https://ncbi.nlm.nih.gov/pubmed/32297073 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-020-00310-4 |
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