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

Zenodo (CERN European Organization for Nuclear Research)

Abstract

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

Authors 9

1. David Alencar Araripe Aachen

   Leiden University · Leiden University Medical Center

   Affiliation as printed

   Leiden University

   Leiden University Medical Center

2. Margarita Iljin
   Affiliation as printed

   Crown Bioscience B.V

3. Hester Bange
   Affiliation as printed

   Crown Bioscience B.V

4. Leo Price
   Affiliation as printed

   Crown Bioscience B.V

5. Rongfang Liu Aachen

   Leiden University

   Affiliation as printed

   Leiden University

6. Daan van der Es Aachen

   Leiden University

   Affiliation as printed

   Leiden University

7. Laura H. Heitman Aachen

   Leiden University · Oncode Institute

   Affiliation as printed

   Leiden University

   Oncode Institute

8. Dorien J.M. Peters Aachen

   Leiden University Medical Center

   Affiliation as printed

   Leiden University Medical Center

9. Gerard J. P. van Westen Aachen

   Leiden University

   Affiliation as printed

   Leiden University