J
Jennifer N. Wei
Researcher at Harvard University
Publications - 18
Citations - 5156
Jennifer N. Wei is an academic researcher from Harvard University. The author has contributed to research in topics: Artificial neural network & Computer science. The author has an hindex of 11, co-authored 15 publications receiving 3674 citations. Previous affiliations of Jennifer N. Wei include Google & Agency for Science, Technology and Research.
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Journal ArticleDOI
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules
Rafael Gómez-Bombarelli,Jennifer N. Wei,David Duvenaud,José Miguel Hernández-Lobato,Benjamin Sanchez-Lengeling,Dennis Sheberla,Jorge Aguilera-Iparraguirre,Timothy D. Hirzel,Ryan P. Adams,Alán Aspuru-Guzik,Alán Aspuru-Guzik +10 more
TL;DR: In this article, a deep neural network was trained on hundreds of thousands of existing chemical structures to construct three coupled functions: an encoder, a decoder, and a predictor, which can generate new molecules for efficient exploration and optimization through open-ended spaces of chemical compounds.
Journal ArticleDOI
Automatic chemical design using a data-driven continuous representation of molecules
Rafael Gómez-Bombarelli,Jennifer N. Wei,David Duvenaud,José Miguel Hernández-Lobato,Benjamin Sanchez-Lengeling,Dennis Sheberla,Jorge Aguilera-Iparraguirre,Timothy D. Hirzel,Ryan P. Adams,Alán Aspuru-Guzik,Alán Aspuru-Guzik +10 more
TL;DR: A method to convert discrete representations of molecules to and from a multidimensional continuous representation that allows us to generate new molecules for efficient exploration and optimization through open-ended spaces of chemical compounds is reported.
Journal ArticleDOI
Printing colour at the optical diffraction limit
TL;DR: The colour-mapping strategy produces images with both sharp colour changes and fine tonal variations, is amenable to large-volume colour printing via nanoimprint lithography, and could be useful in making microimages for security, steganography, nanoscale optical filters and high-density spectrally encoded optical data storage.
Journal ArticleDOI
Neural Networks for the Prediction of Organic Chemistry Reactions
TL;DR: This work explores the use of neural networks for predicting reaction types, using a new reaction fingerprinting method and combines this predictor with SMARTS transformations to build a system which, given a set of reagents and reactants, predicts the likely products.
Journal ArticleDOI
Neural networks for the prediction organic chemistry reactions
TL;DR: In this article, the authors explore the use of neural networks for predicting reaction types, using a new reaction fingerprinting method, and combine this predictor with SMARTS transformations to build a system which, given a set of reagents and re-actants, predicts the likely products.