124 citations · 129 across the 4 of their papers we have counts for
4 papers
MolCAP: Molecular Chemical reActivity pretraining and prompted-finetuning enhanced molecular representation learning
Yu Wang, JingJie Zhang, Junru Jin +1
Molecular representation learning (MRL) is a fundamental task for drug discovery. However, previous deep-learning (DL) methods focus excessively on learning robust inner-molecular…
Multi-view deep learning based molecule design and structural optimization accelerates the SARS-CoV-2 inhibitor discovery
Chao Pang, Yu Wang, Yi Jiang +3
In this work, we propose MEDICO, a Multi-viEw Deep generative model for molecule generation, structural optimization, and the SARS-CoV-2 Inhibitor disCOvery. To the best of our kno…
MSMG-Net: Multi-scale Multi-grained Supervised Metworks for Multi-task Image Manipulation Detection and Localization
Fengsheng Wang, Leyi Wei
With the rapid advances of image editing techniques in recent years, image manipulation detection has attracted considerable attention since the increasing security risks posed by…
MechRetro is a chemical-mechanism-driven graph learning framework for interpretable retrosynthesis prediction and pathway planning
Yu Wang, Chao Pang, Yuzhe Wang +5
Leveraging artificial intelligence for automatic retrosynthesis speeds up organic pathway planning in digital laboratories. However, existing deep learning approaches are unexplain…