epigenetic drug screening 108  (TargetMol)

Journal: bioRxiv

Article Title: Unified modeling of cellular responses to diverse perturbation types

doi: 10.1101/2025.11.13.688367

Figure Lengend Snippet: (A) UMAP visualization of test perturbations predicted by X-Pert, where each point represents a pseudo-bulk cell derived from a specific chemical perturbation in a cell line. Points are colored by cell line. (B) UMAP visualization of all A549 samples, colored by sequencing plate and count of all genes, respectively, highlighting potential batch effects. (C) Schematic illustration of the in silico drug screening pipeline. (D) Scatter plots showing the top-ranked candidate drugs and fitted regression lines for three diseases: PDAC, HCC, and LUAD. Lower up-scores and higher down-scores represent drugs with higher potential that could reverse disease signatures. The top ten prioritized drugs are annotated in red.

Article Snippet: For the in silico drug screening task , we used an FDA-approved drug library from TargetMol , consisting of 935 clinically approved compounds, ensuring the relevance of predictions to translational applications.

Techniques: Derivative Assay, Sequencing, In Silico, Drug discovery