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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. 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.
Correction: 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. Chem Soc Rev. 2020 Jun 8;49(11):3716. doi: 10.1039/d0cs90041a. Chem Soc Rev. 2020. PMID: 32441715
Quantum Chemistry in the Age of Quantum Computing.
Cao Y, Romero J, Olson JP, Degroote M, Johnson PD, Kieferová M, Kivlichan ID, Menke T, Peropadre B, Sawaya NPD, Sim S, Veis L, Aspuru-Guzik A. Cao Y, et al. Chem Rev. 2019 Oct 9;119(19):10856-10915. doi: 10.1021/acs.chemrev.8b00803. Epub 2019 Aug 30. Chem Rev. 2019. PMID: 31469277 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. Chem Soc Rev. 2022 Mar 7;51(5):1659-1684. doi: 10.1039/d1cs00932j. Chem Soc Rev. 2022. PMID: 35166276 Review.
Simulating chemistry using quantum computers.
Kassal I, Whitfield JD, Perdomo-Ortiz A, Yung MH, Aspuru-Guzik A. Kassal I, et al. Annu Rev Phys Chem. 2011;62:185-207. doi: 10.1146/annurev-physchem-032210-103512. Annu Rev Phys Chem. 2011. PMID: 21166541
248 results