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SELFIES and the future of molecular string representations.
Krenn M, Ai Q, Barthel S, Carson N, Frei A, Frey NC, Friederich P, Gaudin T, Gayle AA, Jablonka KM, Lameiro RF, Lemm D, Lo A, Moosavi SM, Nápoles-Duarte JM, Nigam A, Pollice R, Rajan K, Schatzschneider U, Schwaller P, Skreta M, Smit B, Strieth-Kalthoff F, Sun C, Tom G, Falk von Rudorff G, Wang A, White AD, Young A, Yu R, Aspuru-Guzik A. Krenn M, et al. Among authors: pollice r. Patterns (N Y). 2022 Oct 14;3(10):100588. doi: 10.1016/j.patter.2022.100588. eCollection 2022 Oct 14. Patterns (N Y). 2022. PMID: 36277819 Free PMC article. Review.
A Materials Acceleration Platform for Organic Laser Discovery.
Wu TC, Aguilar-Granda A, Hotta K, Yazdani SA, Pollice R, Vestfrid J, Hao H, Lavigne C, Seifrid M, Angello N, Bencheikh F, Hein JE, Burke M, Adachi C, Aspuru-Guzik A. Wu TC, et al. Among authors: pollice r. Adv Mater. 2023 Feb;35(6):e2207070. doi: 10.1002/adma.202207070. Epub 2022 Dec 14. Adv Mater. 2023. PMID: 36373553
Delocalized, asynchronous, closed-loop discovery of organic laser emitters.
Strieth-Kalthoff F, Hao H, Rathore V, Derasp J, Gaudin T, Angello NH, Seifrid M, Trushina E, Guy M, Liu J, Tang X, Mamada M, Wang W, Tsagaantsooj T, Lavigne C, Pollice R, Wu TC, Hotta K, Bodo L, Li S, Haddadnia M, Wołos A, Roszak R, Ser CT, Bozal-Ginesta C, Hickman RJ, Vestfrid J, Aguilar-Granda A, Klimareva EL, Sigerson RC, Hou W, Gahler D, Lach S, Warzybok A, Borodin O, Rohrbach S, Sanchez-Lengeling B, Adachi C, Grzybowski BA, Cronin L, Hein JE, Burke MD, Aspuru-Guzik A. Strieth-Kalthoff F, et al. Among authors: pollice r. Science. 2024 May 17;384(6697):eadk9227. doi: 10.1126/science.adk9227. Epub 2024 May 17. Science. 2024. PMID: 38753786
Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors.
Nigam A, Hurley MFD, Li F, Konkoľová E, Klíma M, Trylčová J, Pollice R, Çinaroğlu SS, Levin-Konigsberg R, Handjaya J, Schapira M, Chau I, Perveen S, Ng HL, Ümit Kaniskan H, Han Y, Singh S, Gorgulla C, Kundaje A, Jin J, Voelz VA, Weber J, Nencka R, Boura E, Vedadi M, Aspuru-Guzik A. Nigam A, et al. Among authors: pollice r. bioRxiv [Preprint]. 2024 Jan 13:2023.10.03.560722. doi: 10.1101/2023.10.03.560722. bioRxiv. 2024. PMID: 37873443 Free PMC article. Preprint.
76 results