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Page 1
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.
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. Among authors: lesniak d.
Molecules. 2020 Mar 23;25(6):1452. doi: 10.3390/molecules25061452.
Molecules. 2020.
PMID: 32210186
Free PMC article.
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Quo vadis G protein-coupled receptor ligands? A tool for analysis of the emergence of new groups of compounds over time.
Leśniak D, Jastrzębski S, Podlewska S, Czarnecki WM, Bojarski AJ.
Leśniak D, et al.
Bioorg Med Chem Lett. 2017 Feb 1;27(3):626-631. doi: 10.1016/j.bmcl.2016.12.001. Epub 2016 Dec 2.
Bioorg Med Chem Lett. 2017.
PMID: 27993519
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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.
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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