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In silico prediction of ocular toxicity of compounds using explainable machine learning and deep learning approaches.
J Appl Toxicol. 2024 Jun;44(6):892-907. doi: 10.1002/jat.4586. Epub 2024 Feb 8.
J Appl Toxicol. 2024.
PMID: 38329145
In Silico prediction of inhibitors for multiple transporters via machine learning methods.
Duan H, Lou C, Gu Y, Wang Y, Li W, Liu G, Tang Y.
Duan H, et al.
Mol Inform. 2024 Mar;43(3):e202300270. doi: 10.1002/minf.202300270. Epub 2024 Feb 6.
Mol Inform. 2024.
PMID: 38235949
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admetSAR3.0: a comprehensive platform for exploration, prediction and optimization of chemical ADMET properties.
Gu Y, Yu Z, Wang Y, Chen L, Lou C, Yang C, Li W, Liu G, Tang Y.
Gu Y, et al.
Nucleic Acids Res. 2024 Apr 22:gkae298. doi: 10.1093/nar/gkae298. Online ahead of print.
Nucleic Acids Res. 2024.
PMID: 38647076
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DBPP-Predictor: a novel strategy for prediction of chemical drug-likeness based on property profiles.
Gu Y, Wang Y, Zhu K, Li W, Liu G, Tang Y.
Gu Y, et al.
J Cheminform. 2024 Jan 5;16(1):4. doi: 10.1186/s13321-024-00800-9.
J Cheminform. 2024.
PMID: 38183072
Free PMC article.
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