9 citations · 10 across the 3 of their papers we have counts for
4 papers
MoTIF-X: A Multimodal Tokenized Framework for Interpretable and Extensible Molecular Representation Learning
Linqing Mo, Jiayu Zhou, Bin Chen
Molecular representation learning is central to computer-aided drug discovery. Molecular graphs, SMILES strings, and 3D conformations provide complementary structural information,…
Molecular Lead Optimization via Agentic Tool Planning
Lingxiao Li, Haobo Zhang, Ruohao Fan +2
Drug discovery is a lengthy and resource-intensive process composed of multiple stages. Among these stages, lead optimization plays a critical role in transforming early hit compou…
MoCL: Data-driven Molecular Fingerprint via Knowledge-aware Contrastive Learning from Molecular Graph
Mengying Sun, Jing Xing, Huijun Wang +2
Recent years have seen a rapid growth of utilizing graph neural networks (GNNs) in the biomedical domain for tackling drug-related problems. However, like any other deep architectu…
Robust Collaborative Learning with Noisy Labels
Mengying Sun, Jing Xing, Bin Chen +1
Learning with curriculum has shown great effectiveness in tasks where the data contains noisy (corrupted) labels, since the curriculum can be used to re-weight or filter out noisy…