Knowledgebase · FAIRsharing
CartBlanche22
Computational chemistryCompounds and reactionsBioassays and chemical biology
CartBlanche22 is the web interface for the ZINC-22 chemical database, a free, large-scale resource of commercially available small molecules used in drug discovery and virtual screening. Users can search, explore, and filter billions of compounds by structure, similarity, and other criteria, and even organize selected molecules for further analysis or purchase. The platform supports lookups by identifiers, SMILES, and supplier codes and is designed to help scientists prepare compound sets for docking and ligand discovery.
- Website
- Record in FAIRsharing (doi:10.25504/FAIRsharing.e0d849)
- Subjects: Chemical Biology, Computational Chemistry, Drug Discovery, Structural Biology
What is known per question
The questions of the decision tree, with what FAIRsharing says about this repository. ✓ supported, ✗ excluded, ? not known. Your own answers are marked.
What kind of data do you want to archive?
- ? Spectra
- ? Crystal structures
- ✓ Computational chemistry
- ? Catalysis
- ✓ Compounds and reactions
- ✓ Bioassays and chemical biology
- ? Materials and polymers
- ? Images and microscopy
- ? Something else
Subjects: Chemical Biology; Computational Chemistry; Drug Discovery; Structural Biology
Does the journal or publisher you publish with require or recommend a repository?
- ? Yes
- ? No
- ? I do not know
FAIRsharing has no information on this.
Which discipline does your data belong to?
FAIRsharing has no information on this.
Which publisher?
FAIRsharing has no information on this.
Does your funder have requirements for where data is archived?
- ? Yes
- ? No
- ? I do not know
FAIRsharing has no information on this.
Which funder?
FAIRsharing has no information on this.
Does your institution offer a data repository?
- ? Yes
- ? No
- ? I do not know
FAIRsharing has no information on this.
Which institution?
FAIRsharing has no information on this.
Can your data be shared openly?
- ✓ Yes, openly available
- ? Yes, after an embargo
- ✗ Only with restrictions
Data access: open
Data deposition: not applicable
How large is your dataset?
- ? Less than 1 GB
- ? 1 GB to 50 GB
- ? 50 GB to 1 TB
- ? More than 1 TB
FAIRsharing has no information on this.
Why can the data not be open?
- ? It contains personal data
- ? Commercial or intellectual property reasons
- ? Safety or security concerns
- ? A data sharing agreement limits it
FAIRsharing has no information on this.
Under which license do you want to share the data?
- ? CC0 / public domain
- ? CC BY
- ? Another open license
- ? Not decided yet
FAIRsharing has no information on this.
Do you need a persistent identifier, such as a DOI, for citing the data?
- ? Yes, a DOI
- ? Any persistent identifier will do
- ? No
FAIRsharing has no information on this.
Must the data be stored in a specific region?
- ✗ In the European Union
- ? In a specific country
- ✓ No preference
Country: United States
Must archiving be free of charge?
- ? Yes, free only
- ? A fee is fine
FAIRsharing has no information on this.
Which country?
✓ 1 of 15 in the list ✗ excludes 14
Country: United States