approved
Compounds with Activity against the Dopamine D2 Receptor

Database containing compounds active against the dopamine D2 receptor together with random inactive compounds as negative samples for learning purposes. Train, validation, and test split data are also provided.

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  • compound_activity_dopamine_d2ZIP

    Database containing compounds active against the dopamine D2 receptor...

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Personal Data Attributes

Description: Personal Data related Information

Field Value
Anonymised No
ChildrenData N/A (Not appliable)
Cross Border Authorised Yes
Data Flow Legal Basis Data were gathered from CHEMBL and processes using publicly available filters to retain only relevant molecular compounds.
Data Protection Impact Assessment No
Ethics Committee Approval No
General Data No
Informed Consent Template No
Non Personal Data Explanation No personal data present in the original data sources used.
Personal Data No
Personal data was manifestly made public by the data subject N/A (Not appliable)
Sensitive Data No
Additional Info
Field Value
Accessibility Virtual Access
Accessibility Mode Download
Attribution requirements When using the data cite: Feldmann, Christian; Mastropietro, Andrea; Pasculli, Giuseppe; Rodríguez-Pérez, Raquel; Bajorath, Juergen (2022), “Compounds with Activity against the Dopamine D2 Receptor”, Mendeley Data, V2, doi: 10.17632/bs6myg75tr.2
Availability On-Line
Basic rights Download
Basic rights Copying
Basic rights Distribution
Basic rights Modification
Creation Date 2022-08-15 18:05
Creator Mastropietro, Andrea, [email protected], orcid.org/0000-0002-3456-9428
Dataset Citation Feldmann, Christian; Mastropietro, Andrea; Pasculli, Giuseppe; Rodríguez-Pérez, Raquel; Bajorath, Juergen (2022), “Compounds with Activity against the Dopamine D2 Receptor”, Mendeley Data, V2, doi: 10.17632/bs6myg75tr.2
Dataset Re-Use Safeguards None
DiskSize 1
External Identifier doi.org/10.17632/bs6myg75tr.2
Field/Scope of use Research only
Format .rar
Group Health Studies
Language eng, English
License term 2022-08-15 18:20/2028-08-15 18:20
Manifestation Type Replica
Processing Degree Secondary
Retention Period 2028-08-15 18:20/2029-08-15 18:20
Semantic Coverage chemoinformatics, chemistry, compounds, moecular activity
Size 4 files
SoBigData Node SoBigData IT
SoBigData Node SoBigData EU
Sublicense rights No
Territory of use World Wide
Thematic Cluster Other
system:type Dataset
Management Info
Field Value
Author Mastropietro Andrea
Maintainer Mastropietro Andrea
Version 1
Last Updated 9 December 2023, 11:29 (CET)
Created 9 December 2023, 11:29 (CET)