Not logged inMachine Learning, Density Functional Theory, and Experiments to Understand the Photocatalytic Reduction of CO2 on CuPt/TiO2
Sumaria, Vaidish; Rawal, Takat B.; Li, Young Feng; Sommer, David; Vikoren, Jake; Bondi, Robert J.; Rupp, Matthias; Prasad, Amrit; Prasad, Deeptanshu .png)
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SaveShare Save Share Save Share Save Share Save Share Save Share Save Share Save Machine-learned multi-system surrogate models for materials predictionNyshadham, Chandramouli; Rupp, Matthias; Bekker, Brayden; Shapeev, Alexander, V; Mueller, Tim; Rosenbrock, Conrad W.; Csanyi, Gabor; Wingate, David W.; Hart, Gus L. W. Share Save Share Save Share Save Share Save Share Save Share Save Share Save Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical informationSushko, Iurii; Novotarskyi, Sergii; Koerner, Robert; Pandey, Anil Kumar; Rupp, Matthias; Teetz, Wolfram; Brandmaier, Stefan; Abdelaziz, Ahmed; Prokopenko, Volodymyr V.; Tanchuk, Vsevolod Y.; Todeschini, Roberto; Varnek, Alexandre; Marcou, Gilles; Ertl, Peter; Potemkin, Vladimir; Grishina, Maria; Gasteiger, Johann; Schwab, Christof; Baskin, Igor I.; Palyulin, Vladimir A.; Radchenko, Eugene V.; Welsh, William J.; Kholodovych, Vladyslav; Chekmarev, Dmitriy; Cherkasov, Artem; Aires-de-Sousa, Joao; Zhang, Qing-You; Bender, Andreas; Nigsch, Florian; Patiny, Luc; Williams, Antony; Tkachenko, Valery; Tetko, Igor V. Share Save Share Save From Machine Learning to Natural Product Derivatives that Selectively Activate Transcription Factor PPARγRupp, Matthias; Schroeter, Timon; Steri, Ramona; Zettl, Heiko; Proschak, Ewgenij; Hansen, Katja; Rau, Oliver; Schwarz, Oliver; Mueller-Kuhrt, Lutz; Schubert-Zsilavecz, Manfred; Mueller, Klaus-Robert; Schneider, Gisbert Share Save Share Save Share Save 
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