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Theoretical and Computational Chemistry

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Jianfeng Pei

3 results in Authors: Jianfeng Pei

Theoretical and Computational Chemistry

Automatic Retrosynthetic Pathway Planning Using Template-free Models

Kangjie Lin, Jianfeng Pei, Luhua Lai, Youjun Xu,

Version 1 posted 23 May 2019

1,014

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Theoretical and Computational Chemistry

Reaxtica: A knowledge-guided machine learning platform for fast and accurate reaction selectivity and yield prediction

Kangjie Lin, Junren Li, Haoyu Lin, Jianfeng Pei, Luhua Lai

Version 2 posted 30 August 2022

1,413

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1

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Theoretical and Computational Chemistry

RefineScore: Improving Ligand Docking Accuracy and Interpretability by Predicting MDN Corrective Physical Interactions

Jinmei Pan, Wei Liu, Jintao Zhu, Jiahan Zhou, Weilin Zhang, Haoyu Lin, Geng Dong, Lirui Lin, Youjun Xu, Jianfeng Pei

Version 2 posted 28 February 2025

272

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