As clearly claimed in our paper ( J. Chem. Inf. Model. 2020. DOI:10.1021/acs.jcim.0c00141), the commercial database DNP is referred, thus in total of 46726 molecules obtained from DNP, including compound name and biological source as well as CAS register number, are not visible/downloadable from TeroKit, but only for in-house use. Regarding to the other information for these 46726 compounds and all data for all other 71949 compounds, are free for academical use in-public. We are always retrieving these compounds from public and original literatures for completed notation. And TeroKit is also kept to update from original literatures since the last time at May 2019. To date (July 2021), about 10000 records of biological source information are now available in web site and 3000 newly found compounds have been added to TeroKit. We should also pointed out that all the corresponding CAS register number of these compounds are retrieved from SCIFinder and now provided in updated TeroKit. In sum, we will continue to retrieve and release them in TeroKit monthly.
Data contribution is also welcome and appreciated. Individuals or research groups who want to contribute TeroKit are invited to fill out the spreadsheet and provide structure files in any of the acceptable formats(SMILES, SDF or MOL). The complete files can be uploaded via this page after login or sent via e-mail to our team by firstname.lastname@example.org
After a successful login, users can download the structure in SD file format by clicking the download button in specific page such as browse, search and compound page. And a list of downloadable items are also provided in this page. For any other download requirements, please contact with us by email@example.com