Dataset - Papyrus - A large scale curated dataset aimed at bioactivity predictions

Description

Fixed version of additional_files: - In the previous version of 05.6_additional_files the data type of some descriptors was assigned incorrectly - In this fixed version data types are correct  This repository contains version 05.6 of the Papyrus dataset, an aggregated dataset of small molecule bioactivities, as described in the article "Papyrus - A large scale curated dataset aimed at bioactivity predictions" doi.org/10.1186/s13321-022-00672-x. Changes compared to version 05.5 - applied small molecule filter that filters out compounds with a MW < 200 or > 800, heavy metal containing compounds and mixtures - include TID column which contains information on the original protein identifier

Resources

Name Format Description Link
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-13817795

Tags

  • papyrus
  • bioactivity
  • proteochemometrics
  • curated-dataset
  • cheminformatics
  • machine-learning

Topics

Categories