Recursion Pharmaceuticals, Inc.

Seyed Ali Madani Tonekaboni

Stephen Scott Mackinnon

Daniella Fiora Lato

William Paul Bone

Hayley Jeton Donnella

The present disclosure relates to systems, non-transitory computer-readable media, and methods that analyze gene perturbation machine learning embeddings and clinical observation data sets utilizing machine learning, explainability models, and causal discovery models to generate causal predictions between one or more genes and clinical outcomes. Indeed, in one or more implementations, the disclosed systems identify gene perturbation embeddings generated from cells exposed to perturbations. For instance, the disclosed systems select a cluster of genes from a plurality of genes by applying a clustering model to the gene perturbation embeddings. In some instances, the disclosed systems select gene targets from the cluster of genes by using a machine learning classification model trained on a plurality of features of the clinical observation data set. Moreover, in some instances, the disclosed systems generate the causal prediction from the gene targets and the clinical observation data set utilizing a causal discovery model.

Utilizing a clinical-phenomics causal discovery framework to generate causal discovery predictions

The present disclosure relates to systems, non-transitory computer-readable media, and methods that utilizing compound-protein machine learning representations to generate target results. For example, the disclosed systems can utilize a compound-protein interaction machine learning model to generate a compound-protein machine learning representation for compound protein pairs. The disclosed systems can utilize the compound-protein machine learning representation to train and utilize other target machine learning models in generating predicted bioactivity results. For example, the disclosed systems train a target machine learning model from compound-protein machine learning representations to generate ADMET predictions and/or biological perturbation program predictions. Furthermore, the disclosed systems can utilize one or more explainability models in conjunction with target machine learning models trained based on compound-protein machine learning representations to identify proteins that contribute to predicted bioactivity results.

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Toronto, Canada

Seyed Ali Madani Tonekaboni