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Three-dimensional descriptors for aminergic GPCRs: dependence on docking conformation and crystal structure.
Mol Divers. 2019 Aug;23(3):603-613. doi: 10.1007/s11030-018-9894-4. Epub 2018 Nov 27.
Mol Divers. 2019.
PMID: 30484023
Free PMC article.
Development of New Methods Needs Proper Evaluation-Benchmarking Sets for Machine Learning Experiments for Class A GPCRs.
Leśniak D, Podlewska S, Jastrzębski S, Sieradzki I, Bojarski AJ, Tabor J.
Leśniak D, et al. Among authors: sieradzki i.
J Chem Inf Model. 2019 Dec 23;59(12):4974-4992. doi: 10.1021/acs.jcim.9b00689. Epub 2019 Nov 22.
J Chem Inf Model. 2019.
PMID: 31604014
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How Sure Can We Be about ML Methods-Based Evaluation of Compound Activity: Incorporation of Information about Prediction Uncertainty Using Deep Learning Techniques.
Sieradzki I, Leśniak D, Podlewska S.
Sieradzki I, et al.
Molecules. 2020 Mar 23;25(6):1452. doi: 10.3390/molecules25061452.
Molecules. 2020.
PMID: 32210186
Free PMC article.
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