3 papers
cs.LG2025
Concept-Driven Deep Learning for Enhanced Protein-Specific Molecular Generation
Taojie Kuang, Qianli Ma, Athanasios V. Vasilakos +4
In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing mole…
cs.LG2024
Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey
Taojie Kuang, Pengfei Liu, Zhixiang Ren
The precise prediction of molecular properties is essential for advancements in drug development, particularly in virtual screening and compound optimization. The recent introducti…
q-bio.BM2023
3D-Mol: A Novel Contrastive Learning Framework for Molecular Property Prediction with 3D Information
Taojie Kuang, Yiming Ren, Zhixiang Ren
Molecular property prediction, crucial for early drug candidate screening and optimization, has seen advancements with deep learning-based methods. While deep learning-based method…