Data and code supporting: From Phenotypic Screening to Target and Compound Prioritization for Autosomal Dominant Polycystic Kidney Disease

This record contains the processed data, source code, trained QSAR models, executed notebooks, and figures supporting the manuscript “From Phenotypic Screening to Target and Compound Prioritization for Autosomal Dominant Polycystic Kidney Disease.” The archive is a complete snapshot of GitHub release v0.1.0 at commit 5796865655aebe42250ca1f68705aa3ef8a8a005, including the datasets managed with Git LFS. The deposited materials include reanalyzed phenotypic-screening data, target-prioritization tables, per-well target-validation and compound-exploration data, normalization-audit outputs, a Papyrus subset, QSAR training data and trained models, saved supplier-screening outputs, and manuscript figures. For reproducibility, extract the ZIP archive, install Pixi, and run “pixi install --locked” from the extracted repository directory. Detailed workflow instructions, provenance, and limitations are provided in the bundled README files. Commercial SmallWorld queries cannot be replayed; their saved result tables are included. Proprietary source exports and raw microscopy images are not included; the public processed inputs used by the analyses are included. Source repository: https://github.com/CDDLeiden/cyst-to-target-and-back