How Molecules Impact Cells: Unlocking Contrastive PhenoMolecular Retrieval

Neural Information Processing Systems 

Contrastive PhenoMolecular Retrieval, which consists of zero-shot molecular structure identification conditioned on phenomic experiments. We assess challenges in multi-modal learning of phenomics and molecular modalities such as experimental batch effect, inactive molecule perturbations, and encoding perturbation concentration.

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