GEOM, energy-annotated molecular conformations for property prediction and molecular generation von Axelrod, Simon, Gómez-Bombarelli, Rafael

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Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules von Gómez-Bombarelli, Rafael, Wei, Jennifer N, Duvenaud, David, Hernández-Lobato, José Miguel, Sánchez-Lengeling, Benjamín, Sheberla, Dennis, Aguilera-Iparraguirre, Jorge, Hirzel, Timothy D, Adams, Ryan P, Aspuru-Guzik, Alán

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Coarse-graining auto-encoders for molecular dynamics von Wang, Wujie, Gómez-Bombarelli, Rafael

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Excited state non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential von Axelrod, Simon, Shakhnovich, Eugene, Gómez-Bombarelli, Rafael

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Differentiable sampling of molecular geometries with uncertainty-based adversarial attacks von Schwalbe-Koda, Daniel, Tan, Aik Rui, Gómez-Bombarelli, Rafael

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Anthraquinone Derivatives in Aqueous Flow Batteries von Gerhardt, Michael R., Tong, Liuchuan, Gómez‐Bombarelli, Rafael, Chen, Qing, Marshak, Michael P., Galvin, Cooper J., Aspuru‐Guzik, Alán, Gordon, Roy G., Aziz, Michael J.

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What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery von Pyzer-Knapp, Edward O, Suh, Changwon, Gómez-Bombarelli, Rafael, Aguilera-Iparraguirre, Jorge, Aspuru-Guzik, Alán

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Discovering Relationships between OSDAs and Zeolites through Data Mining and Generative Neural Networks von Jensen, Zach, Kwon, Soonhyoung, Schwalbe-Koda, Daniel, Paris, Cecilia, Gómez-Bombarelli, Rafael, Román-Leshkov, Yuriy, Corma, Avelino, Moliner, Manuel, Olivetti, Elsa A

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UNIONS AND NON-STANDARD WORK: UNION REPRESENTATION AND WAGE PREMIUMS ACROSS NON-STANDARD WORK ARRANGEMENTS IN CANADA, 1997–2014 von GOMEZ, RAFAEL, LAMB, DANIELLE

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Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach von Gómez-Bombarelli, Rafael, Aguilera-Iparraguirre, Jorge, Hirzel, Timothy D., Duvenaud, David, Maclaurin, Dougal, Blood-Forsythe, Martin A., Chae, Hyun Sik, Einzinger, Markus, Ha, Dong-Gwang, Wu, Tony, Markopoulos, Georgios, Jeon, Soonok, Kang, Hosuk, Miyazaki, Hiroshi, Numata, Masaki, Kim, Sunghan, Huang, Wenliang, Hong, Seong Ik, Baldo, Marc, Adams, Ryan P., Aspuru-Guzik, Alán

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Supramolecular Recognition in Crystalline Nanocavities through Monte Carlo and Voronoi Network Algorithms von Schwalbe-Koda, Daniel, Gómez-Bombarelli, Rafael

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Mapping the Space of Photoswitchable Ligands and Photodruggable Proteins with Computational Modeling von Axelrod, Simon, Shakhnovich, Eugene, Gómez-Bombarelli, Rafael

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A Novel Design of a SIW-Fed Antenna Array Using an Accelerated Full-Wave Methodology von Gomez Garcia, Alfonso, Rubio, Jesus, Masa-Campos, Jose Luis, Corcoles, Juan, Roca, Yolanda Campos, Alcala, Rafael Gomez

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Suppression of Rayleigh Scattering in Silica Glass by Codoping Boron and Fluorine: Molecular Dynamics Simulations with Force-Matching and Neural Network Potentials von Urata, Shingo, Nakamura, Nobuhiro, Tada, Tomofumi, Tan, Aik Rui, Gómez-Bombarelli, Rafael, Hosono, Hideo

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Mechanisms of Lactone Hydrolysis in Neutral and Alkaline Conditions von Gómez-Bombarelli, Rafael, Calle, Emilio, Casado, Julio

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Simultaneous Use of Addition Theorems for Cylindrical and Spherical Waves for the Fast Full-Wave Analysis of SIW-Based Antenna Arrays von Rubio, Jesus, Garcia, Alfonso Gomez, Alcala, Rafael Gomez, Garcia, Jesus, Campos-Roca, Yolanda

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Mapping the frontiers of quinone stability in aqueous media: implications for organic aqueous redox flow batteries von Tabor, Daniel P, Gómez-Bombarelli, Rafael, Tong, Liuchuan, Gordon, Roy G, Aziz, Michael J, Aspuru-Guzik, Alán

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Molecular phylogeny of heritable symbionts and microbiota diversity analysis in phlebotominae sand flies and Culex nigripalpus from Colombia von Vivero-Gomez, Rafael J, Castañeda-Monsalve, Víctor A, Atencia, María Claudia, Hoyos-Lopez, Richard, Hurst, Gregory D, Cadavid-Restrepo, Gloria, Moreno-Herrera, Claudia Ximena

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Role of Melatonin in Cancer Treatment von CUTANDO, Antonio, LOPEZ-VALVERDE, Antonio, ARIAS-SANTIAGO, Salvador, DE VICENTE, Joaquin, DE DIEGO, Rafael Gomez

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Reactive Processing of Furan‐Based Monomers via Frontal Ring‐Opening Metathesis Polymerization for High Performance Materials von Xu, Zhenchuang, Chua, Lauren, Singhal, Avni, Krishnan, Pranav, Lessard, Jacob J., Suslick, Benjamin A., Chen, Valerie, Sottos, Nancy R., Gomez‐Bombarelli, Rafael, Moore, Jeffrey S.

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