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Yuan-Bin She

3 results in Authors: Yuan-Bin She

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

893

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1

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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

271

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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

544

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