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Yun-Fang Yang

4 results in Authors: Yun-Fang Yang

Theoretical and Computational Chemistry

Data-driven design of porphyrin photocatalysts using deep transfer learning from quantum chemical databases

An Su, Xin Zhang, Chengwei Zhang, Debo Ding, Yun-Fang Yang, Keke Wang, Yuan-Bin She

Version 1 posted 15 November 2022

195

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Theoretical and Computational Chemistry

Exploring Deep Learning for Metalloporphyrins: Databases, Molecular Representations, and Model Architectures

An Su, Chengwei Zhang, Yuanbin She, Yun-Fang Yang

Version 2 posted 11 October 2022

271

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1

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Physical Chemistry

SolvBERT for solvation free energy and solubility prediction: a demonstration of an NLP model for predicting the properties of molecular complexes

Jiahui Yu, Chengwei Zhang, Yingying Cheng, Yun-Fang Yang, Yuan-Bin She, Fengfan Liu, Weike Su, An Su

Version 3 posted 06 October 2022

717

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Earth, Space, and Environmental Chemistry

An Artificial Intelligence Platform for Automated PFAS Subgroup Classification: A Discovery Tool for PFAS Screening

An Su, Yingying Cheng, Chengwei Zhang, Yun-Fang Yang, Yuan-Bin She, Krishna Rajan

Version 1 posted 16 August 2023

308

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