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SaveApplication of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Nigam, Akshatkumar; Hurley, Matthew F. D.; Li, Fengling; Konkolova, Eva; Klima, Martin; Trylcova, Jana; Pollice, Robert; Cinaroglu, Suleyman Selim; Levin-Konigsberg, Roni; Handjaya, Jasemine; Schapira, Matthieu; Chau, Irene; Perveen, Sumera; Ng, Ho-Leung; Kaniskan, H. Umit; Han, Yulin; Singh, Sukrit; Gorgulla, Christoph; Kundaje, Anshul; Jin, Jian; Voelz, Vincent A.; Weber, Jan; Nencka, Radim; Boura, Evzen; Vedadi, Masoud; Aspuru-Guzik, Alan
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SaveUnveiling the TADF Emitters with Apparent Negative Singlet-Triplet Gaps: Implications for Exciton Harvesting and OLED Performance
Chen, Xinrui; Bagnich, Sergey; Pollice, Robert; Li, Bing; Zhu, Yuanyuan; Saxena, Rishabh; Yin, Yixiao; Zhu, Weiguo; Aspuru-Guzik, Alan; Zysman-Colman, Eli; Koehler, Anna; Wang, Yafei
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SaveA Materials Acceleration Platform for Organic Laser Discovery
Wu, Tony C.; Aguilar-Granda, Andres; Hotta, Kazuhiro; Yazdani, Sahar Alasvand; Pollice, Robert; Vestfrid, Jenya; Hao, Han; Lavigne, Cyrille; Seifrid, Martin; Angello, Nicholas; Bencheikh, Fatima; Hein, Jason E.; Burke, Martin; Adachi, Chihaya; Aspuru-Guzik, Alan
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SaveSELFIES and the future of molecular string representations
Krenn, Mario; Ai, Qianxiang; Barthel, Senja; Carson, Nessa; Frei, Angelo; Frey, Nathan C.; Friederich, Pascal; Gaudin, Theophile; Gayle, Alberto Alexander; Jablonka, Kevin Maik; Lameiro, Rafael F.; Lemm, Dominik; Lo, Alston; Moosavi, Seyed Mohamad; Napoles-Duarte, Jose Manuel; Nigam, AkshatKumar; Pollice, Robert; Rajan, Kohulan; Schatzschneider, Ulrich; Schwaller, Philippe; Skreta, Marta; Smit, Berend; Strieth-Kalthoff, Felix; Sun, Chong; Tom, Gary; von Rudorff, Guido Falk; Wang, Andrew; White, Andrew D.; Young, Adamo; Yu, Rose; Aspuru-Guzik, Alan
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SaveA Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis
Gensch, Tobias; Gomes, Gabriel dos Passos; Friederich, Pascal; Peters, Ellyn; Gaudin, Theophile; Pollice, Robert; Jorner, Kjell; Nigam, AkshatKumar; Lindner-D'Addario, Michael; Sigman, Matthew S.; Aspuru-Guzik, Alan
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