notesum.ai

Published at November 3

Pre-trained Molecular Language Models with Random Functional Group Masking

q-bio.BM
cs.AI
cs.LG
physics.chem-ph

Released Date: November 3, 2024

Authors: Tianhao Peng1, Yuchen Li2, Xuhong Li1, Jiang Bian1, Zeke Xie3, Ning Sui4, Shahid Mumtaz5, Yanwu Xu6, Linghe Kong2, Haoyi Xiong1

Aff.: 1Baidu Research, Baidu Inc., Haidian, 100085, Beijing, China; 2Department of Computer Science and Engineering, Shanghai Jiao Tong University, Minhang, 200240, Shanghai, China; 3The Hong Kong University of Science and Technology (Guangzhou), Guangzhou, 511455, Guangdong, China; 4Department of Molecular and Structural Biochemistry, North Carolina State University, Raleigh, NC 27695, United States; 5Department of Computer Science, Nottingham Trent University, Nottingham, UK; Department of Applied Informatics, Silesian University of Technology, Gliwice, Poland; 6School of Future Technology, South China University of Technology, Guangzhou, 510641, Guangdong, China

Arxiv: http://arxiv.org/abs/2411.01401v1