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Materials Chemistry

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reaction classification

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4 results in Keywords: reaction classification

Organic Chemistry

Reaction Classification and Yield Prediction using the Differential Reaction Fingerprint DRFP

Daniel Probst, Philippe Schwaller, Jean-Louis Reymond

Version 1 posted 06 July 2021

976

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Theoretical and Computational Chemistry

Transform Descriptors for template free reaction classification

Alexander B. E. Minidis, Fernando F. Huerta

Version 1 posted 29 June 2023

202

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Physical Chemistry

Improving machine learning performance on small chemical reaction data with unsupervised contrastive pretraining

Mingjian Wen, Samuel M. Blau, Xiaowei Xie, Shyam Dwaraknath, Kristin A. Persson

Version 2 posted 11 January 2022

720

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Theoretical and Computational Chemistry

ReactionCode: Format for Reaction Searching, Analysis, Classification, Transform, and Encoding/Decoding

Victorien Delannée, Marc Nicklaus

Version 3 posted 23 July 2020

940

Downloads