ibm/biomed.sm.mv te 84m MoleculeNet ligand scaffold LIPOPHILICITY 101 biomed.sm.mv te 84m is a multimodal biomedical foundation model for small molecules created using MMELON ( M ulti view M olecular E mbedding with L ate Fusi on ), a flexible approach to aggregate multiple views (sequence, image, graph) of molecules in a foundation model setting. While models based on single view representation typically performs well on some downstream tasks and not others, the multi view model performs robustly across a wide range of property prediction tasks encompassing ligand protein binding, molecular solubility, metabolism and toxicity. It has been applied to screen compounds against a large ( 100 targets) set of G Protein Coupled receptors (GPCRs) to identify strong binders for 33 targets related to Alzheimer’s disease, which are validated through structure based modeling and identification of key binding motifs Multi view biomedical foundation models for molecule target and property prediction. Developers: IBM Research GitHub Repository: https://github.com/BiomedSciAI/biomed multi view Paper: Multi view biomedical foundation models for molecule target and property prediction Release Date…
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