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Network-based piecewise linear regression for QSAR modelling
Quantitative Structure-Activity Relationship (QSAR) models are critical in various areas of drug discovery, for example in lead optimisation and virtual screening. Recently, the need for models that are not only predictive but also interpretable has been highlighted. In this paper, a new methodology...
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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
2019
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6825651/ https://ncbi.nlm.nih.gov/pubmed/31628660 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-019-00228-6 |
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