Large-Scale Distributed Training of Transformers for Chemical Fingerprinting-Reference-Cited by-同舟云学术

Large-Scale Distributed Training of Transformers for Chemical Fingerprinting

Published:2022-10-04 Issue:20 Volume:62 Page:4852-4862
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Abdel-Aty Hisham¹,Gould Ian R.¹^ORCID

Affiliation:

1. Department of Chemistry and Institute of Chemical Biology, Imperial College London, Molecular Sciences Research Hub, Shepherd’s Bush, LondonW12 0BZ, UK

Funder

Engineering and Physical Sciences Research Council

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00715

Reference40 articles.

1. Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations

2. Molecular graph convolutions: moving beyond fingerprints

3. Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction

4. Molecular Transformer: A Model for Uncertainty-Calibrated Chemical Reaction Prediction

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