Extension of pQSAR: Ensemble Model Generated by Random Forest and Partial Least Squares Regressions
Quantitative structure-activity relationship (QSAR) regression models are mathematical ones which relate the structural properties of chemicals to the potencies of the biological activities of the chemicals. In QSAR models, the physical and chemical information of the molecules is encoded into quant...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IEEE
2020-01-01
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| Series: | IEEE Access |
| Subjects: | |
| Online Access: | https://ieeexplore.ieee.org/document/9210102/ |