A Comparison of Nine Machine Learning Mutagenicity Models and Their Application for Predicting Pyrrolizidine Alkaloids
Random forest, support vector machine, logistic regression, neural networks and k-nearest neighbor (lazar) algorithms, were applied to a new Salmonella mutagenicity dataset with 8,290 unique chemical structures utilizing MolPrint2D and Chemistry Development Kit (CDK) descriptors. Crossvalidation acc...
| প্রধান লেখক: | , , , |
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| বিন্যাস: | প্রবন্ধ |
| ভাষা: | English |
| প্রকাশিত: |
Frontiers Media S.A.
2021-07-01
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| মালা: | Frontiers in Pharmacology |
| বিষয়গুলি: | |
| অনলাইন ব্যবহার করুন: | https://www.frontiersin.org/articles/10.3389/fphar.2021.708050/full |