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Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful Descriptors.
- Published in:
- Pharmaceuticals (14248247), 2021, v. 14, n. 8, p. 790, doi. 10.3390/ph14080790
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- Article
Maximizing the Performance of Similarity-Based Virtual Screening Methods by Generating Synergy from the Integration of 2D and 3D Approaches.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 14, p. 7747, doi. 10.3390/ijms23147747
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- Publication type:
- Article
NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small Molecules.
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- Biomolecules (2218-273X), 2019, v. 9, n. 2, p. 43, doi. 10.3390/biom9020043
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- Article
Development and Experimental Validation of Regularized Machine Learning Models Detecting New, Structurally Distinct Activators of PXR.
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- Cells (2073-4409), 2022, v. 11, n. 8, p. 1253, doi. 10.3390/cells11081253
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- Article