Author

Lin-Qing Mo

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#machine learning Preprint Sep 2026

MoTIF-X: A Multimodal Tokenized Framework for Interpretable and Extensible Molecular Representation Learning

Molecular representation learning is central to computer-aided drug discovery. Molecular graphs, SMILES strings, and 3D conformations provide complementary structural information, yet many multimodal approaches encode these views independently and align them only at a later stage, limiting fine-grained cross-modal inte...

Lin-Qing Mo, Jia-Yu Zhou, Bin Chen · 0 citations

Open access Aug 2026

A pretrained unified model enables cellular functional profile prediction and multi-objective virtual drug screening

Cells are characterized by molecular states, coordinated molecular interactions, regulatory programs, and responses to perturbations. Systematic mapping of these cellular functional profiles across biological contexts remains experimentally costly and fragmented. Here we present InsilicoCell, a pretrained multi-modal,...

Ruoqiao Chen, Li Huang, Yu Qiao et al. · bioRxiv · 0 citations