Published May 21, 2024 | Version v1.0
Dataset Open

Data underlying the article: "Excuse me, there is a mutant in my bioactivity soup! A comprehensive analysis of the genetic variability landscape of bioactivity databases and its effect on activity modelling"

Authors/Creators

  • 1. Leiden University
  • 2. ROR icon European Bioinformatics Institute

Description

This repository contains the data underlying the article: “Excuse me, there is a mutant in my bioactivity soup! A comprehensive analysis of the genetic variability landscape of bioactivity databases and its effect on activity modelling” available as a preprint on ChemRxiv.

Main authors: Marina Gorostiola González & Olivier J.M. Béquignon (Leiden University)

Senior author: Gerard J.P. van Westen (Leiden University)

This analysis was performed using the code available at https://github.com/CDDLeiden/chembl_variants

Files

analysis.zip

Files (1.9 GB)

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md5:44b8a9d1dba2851f4d095a8153e449d1
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md5:78ba4cbddba25f9653a086faca442f60
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md5:f9d2b6b5d7b64f82daea6a1140401d3d
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md5:cc50271240cb7fd791ee90a35948b69d
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Additional details

Software

Repository URL
https://github.com/CDDLeiden/chembl_variants
Programming language
Python , Jupyter Notebook
Development Status
Active