Large Scale Cell Painting Guided Compound Selection Reveals Activity Cliffs and Functional Relationships

Abstract excerpt

Traditional structure-based pre-screen compound selection relies on the assumption that chemical similarity implies similar biological activity. This paradigm narrows the exploration of chemical space and often fails to account for functional convergence, where structurally diverse compounds act through distinct targets to produce similar phenotypic effects. As a result, compounds with therapeutic potential may be...

Topics

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• Cell Line
• Cell Line, Tumor
• Drug Discovery
• High-Throughput Screening Assays
• Image Processing, Computer-Assisted
• Phenotype
• Reproducibility of Results
• Structure-Activity Relationship

Identifiers and source

Literature Corpus work

1f53528d-3b92-5d97-9003-e5ad1ed0dd48

DOI

10.1101/2025.05.16.654292