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Organic Chemistry

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Brian Barnes

3 results in Authors: Brian Barnes

Theoretical and Computational Chemistry

Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning

Michael Fortunato, Connor W. Coley, Brian Barnes, Klavs F. Jensen

Version 1 posted 07 February 2020

1,038

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1

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Physical Chemistry

Machine Learning Transition Temperatures from 2D Structure

Andrew Sifain, Samuel Yalkowsky, Betsy Rice, Brian Barnes

Version 3 posted 20 November 2020

1,304

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Theoretical and Computational Chemistry

Machine Learned Prediction of Reaction Template Applicability for Data-Driven Retrosynthetic Predictions of Energetic Materials

Michael Fortunato, Connor W. Coley, Brian Barnes, Klavs F. Jensen

Version 1 posted 31 March 2020

827

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1

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