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

Year Number of Results
2004 1
2005 3
2007 1
2008 5
2009 8
2010 5
2011 16
2012 21
2013 12
2014 26
2015 16
2016 14
2017 15
2018 26
2019 13
2020 21
2021 13
2022 18
2023 16
2024 17

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254 results

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Page 1
Deep learning enables rapid identification of potent DDR1 kinase inhibitors.
Zhavoronkov A, Ivanenkov YA, Aliper A, Veselov MS, Aladinskiy VA, Aladinskaya AV, Terentiev VA, Polykovskiy DA, Kuznetsov MD, Asadulaev A, Volkov Y, Zholus A, Shayakhmetov RR, Zhebrak A, Minaeva LI, Zagribelnyy BA, Lee LH, Soll R, Madge D, Xing L, Guo T, Aspuru-Guzik A. Zhavoronkov A, et al. Among authors: aspuru guzik a. Nat Biotechnol. 2019 Sep;37(9):1038-1040. doi: 10.1038/s41587-019-0224-x. Epub 2019 Sep 2. Nat Biotechnol. 2019. PMID: 31477924
QSAR without borders.
Muratov EN, Bajorath J, Sheridan RP, Tetko IV, Filimonov D, Poroikov V, Oprea TI, Baskin II, Varnek A, Roitberg A, Isayev O, Curtarolo S, Fourches D, Cohen Y, Aspuru-Guzik A, Winkler DA, Agrafiotis D, Cherkasov A, Tropsha A. Muratov EN, et al. Among authors: aspuru guzik a. Chem Soc Rev. 2020 Jun 7;49(11):3525-3564. doi: 10.1039/d0cs00098a. Epub 2020 May 1. Chem Soc Rev. 2020. PMID: 32356548 Free PMC article. Review.
The Matter Simulation (R)evolution.
Aspuru-Guzik A, Lindh R, Reiher M. Aspuru-Guzik A, et al. ACS Cent Sci. 2018 Feb 28;4(2):144-152. doi: 10.1021/acscentsci.7b00550. Epub 2018 Feb 6. ACS Cent Sci. 2018. PMID: 29532014 Free PMC article. Review.
ChemOS: Orchestrating autonomous experimentation.
Roch LM, Häse F, Kreisbeck C, Tamayo-Mendoza T, Yunker LPE, Hein JE, Aspuru-Guzik A. Roch LM, et al. Among authors: aspuru guzik a. Sci Robot. 2018 Jun 20;3(19):eaat5559. doi: 10.1126/scirobotics.aat5559. Sci Robot. 2018. PMID: 33141686 Review.
Data-science driven autonomous process optimization.
Christensen M, Yunker LPE, Adedeji F, Häse F, Roch LM, Gensch T, Dos Passos Gomes G, Zepel T, Sigman MS, Aspuru-Guzik A, Hein JE. Christensen M, et al. Among authors: aspuru guzik a. Commun Chem. 2021 Aug 2;4(1):112. doi: 10.1038/s42004-021-00550-x. Commun Chem. 2021. PMID: 36697524 Free PMC article.
On scientific understanding with artificial intelligence.
Krenn M, Pollice R, Guo SY, Aldeghi M, Cervera-Lierta A, Friederich P, Dos Passos Gomes G, Häse F, Jinich A, Nigam A, Yao Z, Aspuru-Guzik A. Krenn M, et al. Among authors: aspuru guzik a. Nat Rev Phys. 2022;4(12):761-769. doi: 10.1038/s42254-022-00518-3. Epub 2022 Oct 11. Nat Rev Phys. 2022. PMID: 36247217 Free PMC article. Review.
Machine learning directed drug formulation development.
Bannigan P, Aldeghi M, Bao Z, Häse F, Aspuru-Guzik A, Allen C. Bannigan P, et al. Among authors: aspuru guzik a. Adv Drug Deliv Rev. 2021 Aug;175:113806. doi: 10.1016/j.addr.2021.05.016. Epub 2021 May 19. Adv Drug Deliv Rev. 2021. PMID: 34019959 Review.
A quantum computing view on unitary coupled cluster theory.
Anand A, Schleich P, Alperin-Lea S, Jensen PWK, Sim S, Díaz-Tinoco M, Kottmann JS, Degroote M, Izmaylov AF, Aspuru-Guzik A. Anand A, et al. Among authors: aspuru guzik a. Chem Soc Rev. 2022 Mar 7;51(5):1659-1684. doi: 10.1039/d1cs00932j. Chem Soc Rev. 2022. PMID: 35166276 Review.
254 results