Authors:
(1) Clayton W. Kosonocky, Department of Molecular Biosciences, The University of Texas at Austin (clayton.kosonocky@utexas.edu);
(2) Aaron L. Feller, Department of Molecular Biosciences, The University of Texas at Austin (aaron.feller@utexas.edu);
(3) Claus O. Wilke, Department of Integrative Biology, The University of Texas at Austin and Corresponding Author (wilke@austin.utexas.edu);
(4) Andrew D. Ellington, Department of Molecular Biosciences, The University of Texas at Austin (ellingtonlab@gmail.com). Table of Links Abstract & Introduction
Methods
Results and Discussion
Determining Whether Canonicalization Impacts Search Behavior
Explanation of Search Behavior & Drawbacks, Future Improvements, and Potential for Misuse
Conclusion, Acknowledgements, Author Contributions, & more.
Supplementary Figures Supplementary Figures This paper is available on arxiv under CC BY-NC-SA 4.0 DEED license. Authors: (1) Clayton W. Kosonocky, Department of Molecular Biosciences, The University of Texas at Austin (clayton.kosonocky@utexas.edu); (2) Aaron L. Feller, Department of Molecular Biosciences, The University of Texas at Austin (aaron.feller@utexas.edu); (3) Claus O. Wilke, Department of Integrative Biology, The University of Texas at Austin and Corresponding Author (wilke@austin.utexas.edu); (4) Andrew D. Ellington, Department of Molecular Biosciences, The University of Texas at Austin (ellingtonlab@gmail.com). Authors: Authors: (1) Clayton W. Kosonocky, Department of Molecular Biosciences, The University of Texas at Austin (clayton.kosonocky@utexas.edu); (2) Aaron L. Feller, Department of Molecular Biosciences, The University of Texas at Austin (aaron.feller@utexas.edu); (3) Claus O. Wilke, Department of Integrative Biology, The University of Texas at Austin and Corresponding Author (wilke@austin.utexas.edu); (4) Andrew D. Ellington, Department of Molecular Biosciences, The University of Texas at Austin (ellingtonlab@gmail.com). Table of Links Abstract & Introduction Methods Results and Discussion Determining Whether Canonicalization Impacts Search Behavior Explanation of Search Behavior & Drawbacks, Future Improvements, and Potential for Misuse Conclusion, Acknowledgements, Author Contributions, & more. Supplementary Figures Abstract & Introduction Abstract & Introduction Methods Methods Results and Discussion Results and Discussion Determining Whether Canonicalization Impacts Search Behavior Determining Whether Canonicalization Impacts Search Behavior Explanation of Search Behavior & Drawbacks, Future Improvements, and Potential for Misuse Explanation of Search Behavior & Drawbacks, Future Improvements, and Potential for Misuse Conclusion, Acknowledgements, Author Contributions, & more. Conclusion, Acknowledgements, Author Contributions, & more. Supplementary Figures Supplementary Figures Supplementary Figures This paper is available on arxiv under CC BY-NC-SA 4.0 DEED license. This paper is available on arxiv under CC BY-NC-SA 4.0 DEED license. available on arxiv

Part of HackerNoon's growing list of open-source research papers, promoting free access to academic material.

Abstract

Supplementary Figures for Transformer-Based Chemical Similarity Search

About Author

Comments

TOPICS

THIS ARTICLE WAS FEATURED IN

Related Stories

Untitled Story

Alternative Canonicalizations Expand Chemical Similarity Search Capabilities

Conclusion and Future Directions for Transformer-Based Chemical Search

Alternative Canonicalizations Expand Chemical Similarity Search Capabilities

SMILES Variations Influence Chemical Search Behavior and Functional Discovery

Chemical Semantic Search Uses Language Models for Molecular Similarity

Alternative Canonicalizations Expand Chemical Similarity Search Capabilities

Conclusion and Future Directions for Transformer-Based Chemical Search

Alternative Canonicalizations Expand Chemical Similarity Search Capabilities

SMILES Variations Influence Chemical Search Behavior and Functional Discovery

Chemical Semantic Search Uses Language Models for Molecular Similarity

Light-Mode

Classic

Newspaper

Dark-Mode

Neon Noir

Minty

HN StartUps