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Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models.
Polykovskiy D, Zhebrak A, Sanchez-Lengeling B, Golovanov S, Tatanov O, Belyaev S, Kurbanov R, Artamonov A, Aladinskiy V, Veselov M, Kadurin A, Johansson S, Chen H, Nikolenko S, Aspuru-Guzik A, Zhavoronkov A. Polykovskiy D, et al. Among authors: sanchez lengeling b. Front Pharmacol. 2020 Dec 18;11:565644. doi: 10.3389/fphar.2020.565644. eCollection 2020. Front Pharmacol. 2020. PMID: 33390943 Free PMC article.
Learning More, with Less.
Sánchez-Lengeling B, Aspuru-Guzik A. Sánchez-Lengeling B, et al. ACS Cent Sci. 2017 Apr 26;3(4):275-277. doi: 10.1021/acscentsci.7b00153. Epub 2017 Apr 18. ACS Cent Sci. 2017. PMID: 28470043 Free PMC article. No abstract available.
Reinforced Adversarial Neural Computer for de Novo Molecular Design.
Putin E, Asadulaev A, Ivanenkov Y, Aladinskiy V, Sanchez-Lengeling B, Aspuru-Guzik A, Zhavoronkov A. Putin E, et al. Among authors: sanchez lengeling b. J Chem Inf Model. 2018 Jun 25;58(6):1194-1204. doi: 10.1021/acs.jcim.7b00690. Epub 2018 Jun 12. J Chem Inf Model. 2018. PMID: 29762023 Free article.
A thermodynamic atlas of carbon redox chemical space.
Jinich A, Sanchez-Lengeling B, Ren H, Goldford JE, Noor E, Sanders JN, Segrè D, Aspuru-Guzik A. Jinich A, et al. Among authors: sanchez lengeling b. Proc Natl Acad Sci U S A. 2020 Dec 29;117(52):32910-32918. doi: 10.1073/pnas.2005642117. Epub 2020 Dec 21. Proc Natl Acad Sci U S A. 2020. PMID: 33376214 Free PMC article.
Quantum chemistry reveals thermodynamic principles of redox biochemistry.
Jinich A, Flamholz A, Ren H, Kim SJ, Sanchez-Lengeling B, Cotton CAR, Noor E, Aspuru-Guzik A, Bar-Even A. Jinich A, et al. Among authors: sanchez lengeling b. PLoS Comput Biol. 2018 Oct 24;14(10):e1006471. doi: 10.1371/journal.pcbi.1006471. eCollection 2018 Oct. PLoS Comput Biol. 2018. PMID: 30356318 Free PMC article.
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.
Gómez-Bombarelli R, Wei JN, Duvenaud D, Hernández-Lobato JM, Sánchez-Lengeling B, Sheberla D, Aguilera-Iparraguirre J, Hirzel TD, Adams RP, Aspuru-Guzik A. Gómez-Bombarelli R, et al. ACS Cent Sci. 2018 Feb 28;4(2):268-276. doi: 10.1021/acscentsci.7b00572. Epub 2018 Jan 12. ACS Cent Sci. 2018. PMID: 29532027 Free PMC article.
Rational design of layered oxide materials for sodium-ion batteries.
Zhao C, Wang Q, Yao Z, Wang J, Sánchez-Lengeling B, Ding F, Qi X, Lu Y, Bai X, Li B, Li H, Aspuru-Guzik A, Huang X, Delmas C, Wagemaker M, Chen L, Hu YS. Zhao C, et al. Among authors: sanchez lengeling b. Science. 2020 Nov 6;370(6517):708-711. doi: 10.1126/science.aay9972. Science. 2020. PMID: 33154140
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