Work

Enhanced Regioselectivity Prediction of sp2 C–H Halogenation via Negative Data Augmentation and Multimodel Integration

Year: 2025

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.5c00281

Authors: Zhiting Zhang, Jia Qiu, Jiajun Zheng, Zhunzhun Yu, Lebin Su, Qianghua Lin, Chonghuan Zhang, Kuangbiao Liao

Institutions: Southern University of Science and Technology, State Key Laboratory of Respiratory Disease, Guangzhou Laboratory, Guangzhou Medical University

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: closed

Funder: National Natural Science Foundation of China

Awards: 基于高通量实验和深度学习建立酰胺合成反应预测模型的方法研究, G569395723

OpenAlex ID: W4408688436

FWCI: 3.97

Cites: 47

Cited by: 8

Related to: 10