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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2011 1
2012 1
2013 1
2015 2
2016 1
2017 3
2018 6
2019 5
2020 2
2021 3
2022 5
2023 3
2024 2

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31 results

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Page 1
Artificial Intelligence Meets Toxicology.
Tetko IV, Klambauer G, Clevert DA, Shah I, Benfenati E. Tetko IV, et al. Among authors: klambauer g. Chem Res Toxicol. 2022 Aug 15;35(8):1289-1290. doi: 10.1021/acs.chemrestox.2c00196. Chem Res Toxicol. 2022. PMID: 35965447 Free PMC article. No abstract available.
Machine Learning in Drug Discovery.
Hochreiter S, Klambauer G, Rarey M. Hochreiter S, et al. Among authors: klambauer g. J Chem Inf Model. 2018 Sep 24;58(9):1723-1724. doi: 10.1021/acs.jcim.8b00478. Epub 2018 Aug 15. J Chem Inf Model. 2018. PMID: 30109927 No abstract available.
The Promise of AI for DILI Prediction.
Vall A, Sabnis Y, Shi J, Class R, Hochreiter S, Klambauer G. Vall A, et al. Among authors: klambauer g. Front Artif Intell. 2021 Apr 14;4:638410. doi: 10.3389/frai.2021.638410. eCollection 2021. Front Artif Intell. 2021. PMID: 33937745 Free PMC article. Review.
DeepSynergy: predicting anti-cancer drug synergy with Deep Learning.
Preuer K, Lewis RPI, Hochreiter S, Bender A, Bulusu KC, Klambauer G. Preuer K, et al. Among authors: klambauer g. Bioinformatics. 2018 May 1;34(9):1538-1546. doi: 10.1093/bioinformatics/btx806. Bioinformatics. 2018. PMID: 29253077 Free PMC article.
Introduction to the Special Issue: AI Meets Toxicology.
Klambauer G, Clevert DA, Shah I, Benfenati E, Tetko IV. Klambauer G, et al. Chem Res Toxicol. 2023 Aug 21;36(8):1163-1167. doi: 10.1021/acs.chemrestox.3c00217. Chem Res Toxicol. 2023. PMID: 37599584 No abstract available.
A community effort in SARS-CoV-2 drug discovery.
Schimunek J, Seidl P, Elez K, Hempel T, Le T, Noé F, Olsson S, Raich L, Winter R, Gokcan H, Gusev F, Gutkin EM, Isayev O, Kurnikova MG, Narangoda CH, Zubatyuk R, Bosko IP, Furs KV, Karpenko AD, Kornoushenko YV, Shuldau M, Yushkevich A, Benabderrahmane MB, Bousquet-Melou P, Bureau R, Charton B, Cirou BC, Gil G, Allen WJ, Sirimulla S, Watowich S, Antonopoulos N, Epitropakis N, Krasoulis A, Itsikalis V, Theodorakis S, Kozlovskii I, Maliutin A, Medvedev A, Popov P, Zaretckii M, Eghbal-Zadeh H, Halmich C, Hochreiter S, Mayr A, Ruch P, Widrich M, Berenger F, Kumar A, Yamanishi Y, Zhang KYJ, Bengio E, Bengio Y, Jain MJ, Korablyov M, Liu CH, Marcou G, Glaab E, Barnsley K, Iyengar SM, Ondrechen MJ, Haupt VJ, Kaiser F, Schroeder M, Pugliese L, Albani S, Athanasiou C, Beccari A, Carloni P, D'Arrigo G, Gianquinto E, Goßen J, Hanke A, Joseph BP, Kokh DB, Kovachka S, Manelfi C, Mukherjee G, Muñiz-Chicharro A, Musiani F, Nunes-Alves A, Paiardi G, Rossetti G, Sadiq SK, Spyrakis F, Talarico C, Tsengenes A, Wade RC, Copeland C, Gaiser J, Olson DR, Roy A, Venkatraman V, Wheeler TJ, Arthanari H, Blaschitz K, Cespugli M, Durmaz V, Fackeldey K, Fischer PD, Gorgulla C, Gruber C, Gruber K, Hetmann M, Kin… See abstract for full author list ➔ Schimunek J, et al. Among authors: klambauer g. Mol Inform. 2024 Jan;43(1):e202300262. doi: 10.1002/minf.202300262. Epub 2023 Nov 14. Mol Inform. 2024. PMID: 37833243
Machine Learning in Drug Discovery.
Klambauer G, Hochreiter S, Rarey M. Klambauer G, et al. J Chem Inf Model. 2019 Mar 25;59(3):945-946. doi: 10.1021/acs.jcim.9b00136. J Chem Inf Model. 2019. PMID: 30905159 No abstract available.
On failure modes in molecule generation and optimization.
Renz P, Van Rompaey D, Wegner JK, Hochreiter S, Klambauer G. Renz P, et al. Among authors: klambauer g. Drug Discov Today Technol. 2019 Dec;32-33:55-63. doi: 10.1016/j.ddtec.2020.09.003. Epub 2020 Oct 24. Drug Discov Today Technol. 2019. PMID: 33386095 Free article. Review.
31 results