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Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds.
Bajorath J, Chávez-Hernández AL, Duran-Frigola M, Fernández-de Gortari E, Gasteiger J, López-López E, Maggiora GM, Medina-Franco JL, Méndez-Lucio O, Mestres J, Miranda-Quintana RA, Oprea TI, Plisson F, Prieto-Martínez FD, Rodríguez-Pérez R, Rondón-Villarreal P, Saldívar-Gonzalez FI, Sánchez-Cruz N, Valli M. Bajorath J, et al. Among authors: oprea ti. J Cheminform. 2022 Dec 2;14(1):82. doi: 10.1186/s13321-022-00661-0. J Cheminform. 2022. PMID: 36461094 Free PMC article.
Artificial Intelligence for Drug Discovery: Are We There Yet?
Hasselgren C, Oprea TI. Hasselgren C, et al. Among authors: oprea ti. Annu Rev Pharmacol Toxicol. 2024 Jan 23;64:527-550. doi: 10.1146/annurev-pharmtox-040323-040828. Epub 2023 Sep 22. Annu Rev Pharmacol Toxicol. 2024. PMID: 37738505 Free article. Review.
Node-degree aware edge sampling mitigates inflated classification performance in biomedical random walk-based graph representation learning.
Cappelletti L, Rekerle L, Fontana T, Hansen P, Casiraghi E, Ravanmehr V, Mungall CJ, Yang JJ, Spranger L, Karlebach G, Caufield JH, Carmody L, Coleman B, Oprea TI, Reese J, Valentini G, Robinson PN. Cappelletti L, et al. Among authors: oprea ti. Bioinform Adv. 2024 Mar 4;4(1):vbae036. doi: 10.1093/bioadv/vbae036. eCollection 2024. Bioinform Adv. 2024. PMID: 38577542 Free PMC article.
Novel drug targets in 2023.
Avram S, Halip L, Curpan R, Oprea TI. Avram S, et al. Among authors: oprea ti. Nat Rev Drug Discov. 2024 May;23(5):330. doi: 10.1038/d41573-024-00057-9. Nat Rev Drug Discov. 2024. PMID: 38565953 No abstract available.
Overview of the Knowledge Management Center for Illuminating the Druggable Genome.
Oprea TI, Bologa C, Holmes J, Mathias S, Metzger VT, Waller A, Yang JJ, Leach AR, Jensen LJ, Kelleher KJ, Sheils TK, Mathé E, Avram S, Edwards JS. Oprea TI, et al. Drug Discov Today. 2024 Mar;29(3):103882. doi: 10.1016/j.drudis.2024.103882. Epub 2024 Jan 11. Drug Discov Today. 2024. PMID: 38218214 Free article. Review.
Exploring DrugCentral: from molecular structures to clinical effects.
Halip L, Avram S, Curpan R, Borota A, Bora A, Bologa C, Oprea TI. Halip L, et al. Among authors: oprea ti. J Comput Aided Mol Des. 2023 Dec;37(12):681-694. doi: 10.1007/s10822-023-00529-x. Epub 2023 Sep 14. J Comput Aided Mol Des. 2023. PMID: 37707619 Free PMC article. Review.
Molecular Complexity: You Know It When You See It.
Oprea TI, Bologa C. Oprea TI, et al. J Med Chem. 2023 Sep 28;66(18):12710-12714. doi: 10.1021/acs.jmedchem.3c01507. Epub 2023 Sep 7. J Med Chem. 2023. PMID: 37675804 Free article.
Toxicology knowledge graph for structural birth defects.
Evangelista JE, Clarke DJB, Xie Z, Marino GB, Utti V, Jenkins SL, Ahooyi TM, Bologa CG, Yang JJ, Binder JL, Kumar P, Lambert CG, Grethe JS, Wenger E, Taylor D, Oprea TI, de Bono B, Ma'ayan A. Evangelista JE, et al. Among authors: oprea ti. Commun Med (Lond). 2023 Jul 17;3(1):98. doi: 10.1038/s43856-023-00329-2. Commun Med (Lond). 2023. PMID: 37460679 Free PMC article.
Illuminating the druggable genome through patent bioactivity data.
Magariños MP, Gaulton A, Félix E, Kiziloren T, Arcila R, Oprea TI, Leach AR. Magariños MP, et al. Among authors: oprea ti. PeerJ. 2023 May 2;11:e15153. doi: 10.7717/peerj.15153. eCollection 2023. PeerJ. 2023. PMID: 37151295 Free PMC article.
207 results