Shield:

This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

Datasets

All processed datasets are based on data extracted from ChEMBL, release v25 (Provided under a Creative Commons Attribution-ShareAlike 3.0 Unported license: http://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_25/LICENSE)

v25: http://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_25/

Reference: Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. The ChEMBL database in 2017. Nucleic Acids Res. 2017 45(D1):D945-D954. DOI: 10.1093/nar/gkw1074

MELLODDY-related Datasets

All datasets can be found on MELLODDY Zenodo Community:

https://zenodo.org/communities/melloddy/?page=1&size=20

Datasets extracted and processed from ChEMBL

ChEMBL v25 output files extracted and processed with the public data preparation code https://zenodo.org/record/5045055#.YRqAVpMzZTZ

Datasets for MELLODDY-TUNER

Release v1.0

Public data from ChEMBL (version 25) for running MELLODDY-TUNER release v1.0:

https://doi.org/10.5281/zenodo.4778423

Release v2.0

Public data from ChEMBL (version 25) and PubChem for running MELLODDY-TUNER release v2.0:

https://doi.org/10.5281/zenodo.4835669