受强制性开放获取政策约束的文章 - Rafael Gómez-Bombarelli了解详情
无法在其他位置公开访问的文章：5 篇
Human-and machine-centred designs of molecules and materials for sustainability and decarbonization
J Peng, D Schwalbe-Koda, K Akkiraju, T Xie, L Giordano, Y Yu, CJ Eom, ...
Nature Reviews Materials 7 (12), 991-1009, 2022
强制性开放获取政策： US Department of Energy
Machine learning and big-data in computational chemistry
R Gómez-Bombarelli, A Aspuru-Guzik
Handbook of Materials Modeling: Methods: Theory and Modeling, 1939-1962, 2020
强制性开放获取政策： US Department of Energy
Ring-opening reactions of benzotriazoles with Wittig reagents
XA Mico, RG Bombarelli, LR Subramanian, T Ziegler
Tetrahedron letters 47 (45), 7845-7848, 2006
强制性开放获取政策： German Research Foundation
Energy-aware neural architecture selection and hyperparameter optimization
NC Frey, D Zhao, S Axelrod, M Jones, D Bestor, V Gadepally, ...
2022 IEEE International Parallel and Distributed Processing Symposium …, 2022
强制性开放获取政策： US Department of Defense
Genotoxic halofuranones in water: isomerization and acidity of mucohalic acids
R Gómez‐Bombarelli, M González‐Pérez, MT Pérez‐Prior, E Calle, ...
Journal of Physical Organic Chemistry 25 (1), 14-20, 2012
强制性开放获取政策： Government of Spain
可在其他位置公开访问的文章：62 篇
Automatic chemical design using a data-driven continuous representation of molecules
R Gómez-Bombarelli, JN Wei, D Duvenaud, JM Hernández-Lobato, ...
ACS central science 4 (2), 268-276, 2018
强制性开放获取政策： US National Science Foundation, US Department of Energy
Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach
R Gómez-Bombarelli, J Aguilera-Iparraguirre, TD Hirzel, D Duvenaud, ...
Nature materials 15 (10), 1120-1127, 2016
强制性开放获取政策： US Department of Energy
A redox-flow battery with an alloxazine-based organic electrolyte
K Lin, R Gómez-Bombarelli, ES Beh, L Tong, Q Chen, A Valle, ...
Nature Energy 1 (9), 1-8, 2016
强制性开放获取政策： US National Science Foundation, US Department of Energy
What is high-throughput virtual screening? A perspective from organic materials discovery
EO Pyzer-Knapp, C Suh, R Gómez-Bombarelli, J Aguilera-Iparraguirre, ...
Annual Review of Materials Research 45 (1), 195-216, 2015
强制性开放获取政策： US Department of Energy
Data-driven modeling and learning in science and engineering
FJ Montáns, F Chinesta, R Gómez-Bombarelli, JN Kutz
Comptes Rendus Mécanique 347 (11), 845-855, 2019
强制性开放获取政策： US Department of Defense, Government of Spain
GEOM, energy-annotated molecular conformations for property prediction and molecular generation
S Axelrod, R Gomez-Bombarelli
Scientific Data 9 (1), 185, 2022
强制性开放获取政策： US National Science Foundation, US Department of Energy, US Department of …
Anthraquinone derivatives in aqueous flow batteries
MR Gerhardt, L Tong, R Gómez‐Bombarelli, Q Chen, MP Marshak, ...
Advanced energy materials 7 (8), 1601488, 2017
强制性开放获取政策： US Department of Energy
Mapping the frontiers of quinone stability in aqueous media: implications for organic aqueous redox flow batteries
DP Tabor, R Gómez-Bombarelli, L Tong, RG Gordon, MJ Aziz, ...
Journal of Materials Chemistry A 7 (20), 12833-12841, 2019
强制性开放获取政策： US National Science Foundation, US Department of Energy, Innovation Fund Denmark
A priori control of zeolite phase competition and intergrowth with high-throughput simulations
D Schwalbe-Koda, S Kwon, C Paris, E Bello-Jurado, Z Jensen, E Olivetti, ...
Science 374 (6565), 308-315, 2021
强制性开放获取政策： US National Science Foundation, US Department of Defense, Swedish Research …
An end-to-end framework for molecular conformation generation via bilevel programming
M Xu, W Wang, S Luo, C Shi, Y Bengio, R Gomez-Bombarelli, J Tang
International conference on machine learning, 11537-11547, 2021
强制性开放获取政策： Natural Sciences and Engineering Research Council of Canada
UV-Vis spectrophotometry of quinone flow battery electrolyte for in situ monitoring and improved electrochemical modeling of potential and quinhydrone formation
L Tong, Q Chen, AA Wong, R Gómez-Bombarelli, A Aspuru-Guzik, ...
Physical Chemistry Chemical Physics 19 (47), 31684-31691, 2017
强制性开放获取政策： US National Science Foundation, US Department of Energy
Mechanisms of lactone hydrolysis in neutral and alkaline conditions
R Gómez-Bombarelli, E Calle, J Casado
The Journal of organic chemistry 78 (14), 6868-6879, 2013
强制性开放获取政策： Government of Spain
Discovering relationships between OSDAs and zeolites through data mining and generative neural networks
Z Jensen, S Kwon, D Schwalbe-Koda, C Paris, R Gómez-Bombarelli, ...
ACS central science 7 (5), 858-867, 2021
强制性开放获取政策： US National Science Foundation, US Department of Defense, Government of Spain
Neural scaling of deep chemical models
NC Frey, R Soklaski, S Axelrod, S Samsi, R Gomez-Bombarelli, CW Coley, ...
Nature Machine Intelligence 5 (11), 1297-1305, 2023
强制性开放获取政策： US Department of Defense
Graph similarity drives zeolite diffusionless transformations and intergrowth
D Schwalbe-Koda, Z Jensen, E Olivetti, R Gómez-Bombarelli
Nature materials 18 (11), 1177-1181, 2019
强制性开放获取政策： US National Science Foundation, US Department of Defense
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