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Theoretical and Computational Chemistry

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Xinhao Li

3 results in Authors: Xinhao Li

Theoretical and Computational Chemistry

Inductive Transfer Learning for Molecular Activity Prediction: Next-Gen QSAR Models with MolPMoFiT

Xinhao Li, Denis Fourches

Version 2 posted 30 March 2020

2,081

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Theoretical and Computational Chemistry

SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning

Xinhao Li, Denis Fourches

Version 1 posted 21 May 2020

1,741

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Theoretical and Computational Chemistry

CryptoChem for Encoding and Storing Information Using Chemical Structures

Phyo Phyo Zin, Xinhao Li, Dhoha TRIKI, Denis Fourches

Version 1 posted 07 September 2020

837

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