AdditiveChem is built on the Python web development framework, Django 1.6, with information stored in the MySQL relational database, the most popular open source database. The friendly front-end of the site is designed by HTML, CSS, Bootstrap, JQuery, JavaScript. More delicate search styles are completed by Django-Haystack, RDKit, JSME.
Text query use Haystack to look for every matched results of your input. SMILES（Simplified molecular input line entry specification）use a string of characters to describe a three-dimensional chemical structure, can be standardized by RDkit to look for matched results. Fragment allows you to search a series of chemicals with similar or the same fragment. Similartity (Tanimoto similarity) is a measurement of quantifying molecular similarity calculations by comparing chemical structures represented by means of 2D fingerprints. MCS (most common structure) provides search option base on the fundamental structure.
The data provided is available for the intent of further research, thanks for using our database, more suggestions and questions are well welcomed.
Additivechem is freely available to use in a non-commercial product. Commercial use is one primarily intended for commercial advantage or monetary compensation. This means you cannot:
Directly sell or profit from the Additivechem Database or from works derived from the Additivechem Database
Use the Additivechem Database internally for commercial product development
Use the Additivechem Database as a component of a data product or within software to be made commercially available.
The Additivechem Database may be used by individuals, institutions, governments, corporations or other business entities so long as the use itself or any works derived from the use of the Additivechem Database are not intended to generate sales or profit.
If you wish to use the Additivechem Database for commercial purposes, please contact chengxingxiang2017@sibs.ac.cn to inquire about a separate agreement.
Please contact us using our contact form to submit an error report. If you can, please list references for the corrected information. It will be great help.