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Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery
Structure–activity relationship modelling is frequently used in the early stage of drug discovery to assess the activity of a compound on one or several targets, and can also be used to assess the interaction of compounds with liability targets. QSAR models have been used for these and related appli...
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| 發表在: | J Cheminform |
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| Main Authors: | , , , , , |
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
Springer International Publishing
2019
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6690068/ https://ncbi.nlm.nih.gov/pubmed/30631996 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-018-0325-4 |
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