The Computer-assisted Chemical Synthesis (CaCS) Database

The private preview of the computer-assisted chemical synthesis (CaCS) database files supplementing the Database article "The consolidation of open-source computer-assisted chemical synthesis data into a comprehensive database" submitted to the BMC Journal of Cheminformatics.The archive_cacs_db.sqlite.zip archive file contains the version of the CaCS database encompassing the archive data from all sources supported by the data_source and ncsw_data packages as of the time of writing. (Note: The archive file size is ~5.5 GB, and the file size is ~24.0 GB.)The case_study_cacs_db.sqlite.zip archive file contains the version of the CaCS database utilized in the case study of the publication. (Note: The archive file size is ~1.3 GB, and the file size is ~6.4GB.)