Neural Networks for the Prediction of Organic Chemistry Reactions von Wei, Jennifer N, Duvenaud, David, Aspuru-Guzik, Alán

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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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A principal odor map unifies diverse tasks in olfactory perception von Lee, Brian K, Mayhew, Emily J, Sanchez-Lengeling, Benjamin, Wei, Jennifer N, Qian, Wesley W, Little, Kelsie A, Andres, Matthew, Nguyen, Britney B, Moloy, Theresa, Yasonik, Jacob, Parker, Jane K, Gerkin, Richard C, Mainland, Joel D, Wiltschko, Alexander B

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Rapid Prediction of Electron–Ionization Mass Spectrometry Using Neural Networks von Wei, Jennifer N, Belanger, David, Adams, Ryan P, Sculley, D

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Metabolic activity organizes olfactory representations von Qian, Wesley W, Wei, Jennifer N, Sanchez-Lengeling, Benjamin, Lee, Brian K, Luo, Yunan, Vlot, Marnix, Dechering, Koen, Peng, Jian, Gerkin, Richard C, Wiltschko, Alexander B

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The Active Site of Melanopsin: The Biological Clock Photoreceptor von Sekharan, Sivakumar, Wei, Jennifer N, Batista, Victor S

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QM/MM Model of the Mouse Olfactory Receptor MOR244-3 Validated by Site-Directed Mutagenesis Experiments von Sekharan, Sivakumar, Ertem, Mehmed Z., Zhuang, Hanyi, Block, Eric, Matsunami, Hiroaki, Zhang, Ruina, Wei, Jennifer N., Pan, Yi, Batista, Victor S.

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Printing colour at the optical diffraction limit von Kumar, Karthik, Duan, Huigao, Hegde, Ravi S., Koh, Samuel C. W., Wei, Jennifer N., Yang, Joel K. W.

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Perspective on AI for accelerated materials design at the AI4Mat-2023 workshop at NeurIPS 2023 von Miret, Santiago, Krishnan, N. M. Anoop, Sanchez-Lengeling, Benjamin, Skreta, Marta, Venugopal, Vineeth, Wei, Jennifer N

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QM/MM Model of the Mouse Olfactory Receptor MOR244-3 Validated by Site-Directed Mutagenesis Experiments von Sekharan, Sivakumar, Ertem, Mehmed Z., Zhuang, Hanyi, Block, Eric, Matsunami, Hiroaki, Zhang, Ruina, Wei, Jennifer N., Pan, Yi, Batista, Victor S.

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Predicting emergence of crystals from amorphous matter with deep learning von Aykol, Muratahan, Merchant, Amil, Batzner, Simon, Wei, Jennifer N, Cubuk, Ekin Dogus

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AVIDa-hIL6: A Large-Scale VHH Dataset Produced from an Immunized Alpaca for Predicting Antigen-Antibody Interactions von Tsuruta, Hirofumi, Yamazaki, Hiroyuki, Maeda, Ryota, Tamura, Ryotaro, Wei, Jennifer N, Mariet, Zelda, Phloyphisut, Poomarin, Shimokawa, Hidetoshi, Ledsam, Joseph R, Colwell, Lucy, Imura, Akihiro

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Rapid Prediction of Electron-Ionization Mass Spectrometry using Neural Networks von Wei, Jennifer N, Belanger, David, Adams, Ryan P, Sculley, D

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Predicting emergence of crystals from amorphous matter with deep learning von Aykol, Muratahan, Merchant, Amil, Batzner, Simon, Wei, Jennifer N, Cubuk, Ekin Dogus

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Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules von Sanchez-Lengeling, Benjamin, Wei, Jennifer N, Lee, Brian K, Gerkin, Richard C, Aspuru-Guzik, Alán, Wiltschko, Alexander B

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Neural networks for the prediction organic chemistry reactions von Wei, Jennifer N, Duvenaud, David, Aspuru-Guzik, Alán

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AVIDa-hIL6: A Large-Scale VHH Dataset Produced from an Immunized Alpaca for Predicting Antigen-Antibody Interactions von Tsuruta, Hirofumi, Yamazaki, Hiroyuki, Maeda, Ryota, Tamura, Ryotaro, Wei, Jennifer N, Mariet, Zelda, Phloyphisut, Poomarin, Shimokawa, Hidetoshi, Ledsam, Joseph R, Colwell, Lucy, Imura, Akihiro

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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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Automatic chemical design using a data-driven continuous representation of molecules von Gómez-Bombarelli, Rafael, Wei, Jennifer N, Duvenaud, David, José Miguel Hernández-Lobato, Sánchez-Lengeling, Benjamín, Sheberla, Dennis, Aguilera-Iparraguirre, Jorge, Hirzel, Timothy D, Adams, Ryan P, Aspuru-Guzik, Alán

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Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules von Sanchez-Lengeling, Benjamin, Wei, Jennifer N, Lee, Brian K, Gerkin, Richard C, Aspuru-Guzik, Alán, Wiltschko, Alexander B

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