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Physical Chemistry

Working Paper

Exploring Diamond-Like Lattice Thermal Conductivity Crystals via Feature-Based Transfer Learning

Shenghong Ju, Ryo Yoshida, Chang Liu, Kenta Hongo, Terumasa Tadano, Junichiro Shiomi

Version 1 posted 20 September 2019

860

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Theoretical and Computational Chemistry

Working Paper

Meta-Learning Initializations for Low-Resource Drug Discovery

Cuong Q. Nguyen, Constantine Kreatsoulas, Kim M. Branson

Version 1 posted 16 March 2020

772

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3

Citations

Theoretical and Computational Chemistry

Working Paper

Transfer Learning with Graph Neural Networks for Optoelectronic Properties of Conjugated Oligomers

Chee Kong Lee, Chengqiang Lu, Yue Yu, Qiming Sun, Chang-Yu Hsieh, Shengyu Zhang, Qi Liu, Liang Shi

Version 1 posted 16 November 2020

1,475

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1

Citations

Organic Chemistry

Working Paper

Substrate Specific Closed-loop Optimization of Carbohydrate Protective Group Chemistry Using Bayesian Optimization and Transfer Learning

Natasha Videcrantz Faurschou, Rolf Hejle Taaning, Christian Marcus Pedersen

Version 1 posted 23 February 2023

250

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Theoretical and Computational Chemistry

Working Paper

Data Augmentation and Transfer Learning Strategies for Reaction Prediction in Low Chemical Data Regimes

Yun Zhang, Ling Wang, Xinqiao Wang, Chengyun Zhang, Jiamin Ge, Jing Tang, An Su, Hongliang Duan

Version 1 posted 17 December 2020

912

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1

Citations

Theoretical and Computational Chemistry

Working Paper

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

Xinhao Li, Denis Fourches

Version 2 posted 30 March 2020

2,041

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Materials Science

Working Paper

Transfer and Active Learning of High Dimensional Neural Network Potentials for Transition Metal Clusters and Bulk

Bilvin Varughese, Sukriti Manna, Troy Loeffler, Rohit Batra, Mathew Cherukara, Subramanian K.R.S. Sankaranarayanan

Version 1 posted 13 June 2022

195

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Materials Science

Working Paper

A Multi-modal Pre-training Transformer for Universal Transfer Learning in Metal-Organic Frameworks

Yeonghun Kang, Hyunsoo Park, Berend Smit, Jihan Kim

Version 2 posted 18 January 2023

2,559

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Theoretical and Computational Chemistry

Working Paper

Carbohydrate Transformer: Predicting Regio- and Stereoselective Reactions Using Transfer Learning

Giorgio Pesciullesi, Philippe Schwaller, Teodoro Laino, Jean-Louis Reymond

Version 1 posted 05 March 2020

819

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1

Citations

Materials Science

Working Paper

Comparing Transfer Learning to Feature Optimization in Microstructure Classification

Debanshu Banerjee, Taylor D. Sparks

Version 2 posted 23 August 2021

572

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Refine Search

25 results in Transfer Learning in Keywords: Transfer Learning

Exploring Diamond-Like Lattice Thermal Conductivity Crystals via Feature-Based Transfer Learning

Meta-Learning Initializations for Low-Resource Drug Discovery

Transfer Learning with Graph Neural Networks for Optoelectronic Properties of Conjugated Oligomers

Substrate Specific Closed-loop Optimization of Carbohydrate Protective Group Chemistry Using Bayesian Optimization and Transfer Learning

Data Augmentation and Transfer Learning Strategies for Reaction Prediction in Low Chemical Data Regimes

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

Transfer and Active Learning of High Dimensional Neural Network Potentials for Transition Metal Clusters and Bulk

A Multi-modal Pre-training Transformer for Universal Transfer Learning in Metal-Organic Frameworks

Carbohydrate Transformer: Predicting Regio- and Stereoselective Reactions Using Transfer Learning

Comparing Transfer Learning to Feature Optimization in Microstructure Classification

25 results in Keywords: Transfer Learning