Jul 2026
A Multi-Modal Cyclic Peptide Representation Learning Framework for Membrane Permeability Prediction.
MultiMol is a multimodal framework that integrates SMILES sequences, molecular images, molecular graphs, and 3D conformations through tailored pre-training tasks and a scalable fusion mechanism, and consistently outperforms existing methods in cyclic peptide permeability prediction.
Haowen Chen, Xiuxiu Chao, Weihao Ou et al.
· IEEE journal of biomedical a... · 0 citations