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

Year Number of Results
2006 1
2007 3
2008 1
2010 3
2011 4
2012 3
2014 2
2015 1
2016 1
2017 4
2018 8
2019 8
2020 0
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37 results
Results by year
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Page 1
Machine learning for molecular and materials science.
Butler KT, Davies DW, Cartwright H, Isayev O, Walsh A. Butler KT, et al. Among authors: Isayev O. Nature. 2018 Jul;559(7715):547-555. doi: 10.1038/s41586-018-0337-2. Epub 2018 Jul 25. Nature. 2018. PMID: 30046072 Free article. Review.
Deep reinforcement learning for de novo drug design.
Popova M, Isayev O, Tropsha A. Popova M, et al. Among authors: Isayev O. Sci Adv. 2018 Jul 25;4(7):eaap7885. doi: 10.1126/sciadv.aap7885. eCollection 2018 Jul. Sci Adv. 2018. PMID: 30050984 Free PMC article.
Transforming Computational Drug Discovery with Machine Learning and AI.
Smith JS, Roitberg AE, Isayev O. Smith JS, et al. Among authors: Isayev O. ACS Med Chem Lett. 2018 Oct 8;9(11):1065-1069. doi: 10.1021/acsmedchemlett.8b00437. eCollection 2018 Nov 8. ACS Med Chem Lett. 2018. PMID: 30429945 Free PMC article.
Atlas Regeneration, Inc.
Makarev E, Isayev O, Atala A. Makarev E, et al. Among authors: Isayev O. Regen Med. 2016 Mar;11(2):141-3. doi: 10.2217/rme.15.87. Epub 2016 Feb 29. Regen Med. 2016. PMID: 26925598 Free article.
Discovering a Transferable Charge Assignment Model Using Machine Learning.
Sifain AE, Lubbers N, Nebgen BT, Smith JS, Lokhov AY, Isayev O, Roitberg AE, Barros K, Tretiak S. Sifain AE, et al. Among authors: Isayev O. J Phys Chem Lett. 2018 Aug 16;9(16):4495-4501. doi: 10.1021/acs.jpclett.8b01939. Epub 2018 Jul 27. J Phys Chem Lett. 2018. PMID: 30039707
Text mining facilitates materials discovery.
Isayev O. Isayev O. Nature. 2019 Jul;571(7763):42-43. doi: 10.1038/d41586-019-01978-x. Nature. 2019. PMID: 31270488 No abstract available.
In Vivo Immunological Effects of CD73 Deficiency.
Adam T, Mathes A, Isayev O, Philippov PP, Werner J, Karakhanova S, Bazhin AV. Adam T, et al. Among authors: Isayev O. Cell Physiol Biochem. 2019;52(5):1192-1202. doi: 10.33594/000000081. Cell Physiol Biochem. 2019. PMID: 31001959 Free article.
Less is more: Sampling chemical space with active learning.
Smith JS, Nebgen B, Lubbers N, Isayev O, Roitberg AE. Smith JS, et al. Among authors: Isayev O. J Chem Phys. 2018 Jun 28;148(24):241733. doi: 10.1063/1.5023802. J Chem Phys. 2018. PMID: 29960353
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