Can large language models empower molecular property prediction?
Molecular property prediction has gained significant attention due to its transformative
potential in multiple scientific disciplines. Conventionally, a molecule graph can be …
potential in multiple scientific disciplines. Conventionally, a molecule graph can be …
Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey
The precise prediction of molecular properties is essential for advancements in drug
development, particularly in virtual screening and compound optimization. The recent …
development, particularly in virtual screening and compound optimization. The recent …
3DSGIMD: An accurate and interpretable molecular property prediction method using 3D spatial graph focusing network and structure-based feature fusion
Y Tian, C Wang, R Lu, HHY Tong, X Gong, J Qiu… - Future Generation …, 2024 - Elsevier
A comprehensive representation of molecular structure is essential for establishing accurate
and reliable molecular property prediction models. However, fully extracting and learning …
and reliable molecular property prediction models. However, fully extracting and learning …
Geometrically Aligned Transfer Encoder for Inductive Transfer in Regression Tasks
Transfer learning is a crucial technique for handling a small amount of data that is potentially
related to other abundant data. However, most of the existing methods are focused on …
related to other abundant data. However, most of the existing methods are focused on …