8 citations · 9 across the 3 of their papers we have counts for
3 papers
cs.CV2025★ 1 cited
OCSU: Optical Chemical Structure Understanding for Molecule-centric Scientific Discovery
Siqi Fan, Yuguang Xie, Bowen Cai +5
Understanding the chemical structure from a graphical representation of a molecule is a challenging image caption task that would greatly benefit molecule-centric scientific discov…
q-bio.BM2023
Molecular Property Prediction by Semantic-invariant Contrastive Learning
Ziqiao Zhang, Ailin Xie, Jihong Guan +1
Contrastive learning have been widely used as pretext tasks for self-supervised pre-trained molecular representation learning models in AI-aided drug design and discovery. However,…
q-bio.BM2023★ 8 cited
Activity Cliff Prediction: Dataset and Benchmark
Ziqiao Zhang, Bangyi Zhao, Ailin Xie +2
Activity cliffs (ACs), which are generally defined as pairs of structurally similar molecules that are active against the same bio-target but significantly different in the binding…