Data Downloads
ChemMine provides many data download options through its detailed annotation pages for compounds and screens. This page provides batch download options of entire data sets to facilitate large scale analyses.
Compounds
- Screening compounds can be downloaded directly from ChemMine in SMILES and SDF formats. Typically, these are compounds that were provided to ChemMine through uploads of screening data.
- All other compound sets in ChemMine should always be downloaded directly from their original source by using the links provided on the CMP Source page.
Screening Data
- Screening data deposited in ChemMine's screening database can be downloaded in SDF and XML formats from the Screen and Bioassay page by clicking the download links on top of the overview page of each screen (e.g. screen #161). This includes all raw and processed bioassay data along with available image data as zip files.
- A complete summary matrix of the bioactivity data in ChemMine can be downloaded by clicking on this Bioassay Matrix link. It contains the bioactivity summary information for all compounds in ChemMine that are associated with bioassay data in the screening database. The corresponding screening compound sets can be downloaded in SMILES and SDF formats (see above).
Software
All data analysis tools that were developed by this project can be downloaded from the Software page.