What is ChemSink?
ChemSink is a chemical reaction database. It is a place for anyone interested in chemical synthesis to come and discuss their successes and failures with specific chemical reactions. The chemsink database is free to download, alter, and use.
How does ChemSink Work?
ChemSink works by linking together freely available chemical compound databases with general reactions definitions. The result is an unverified chemical reaction database which can be further annotated by you, the user. The goal is to provide a forum to discuss chemical reaction, while creating a verified database of chemical reactions.
What makes ChemSink Work?
ChemSink uses a subset of the PubChem Database containing well over a million compounds, and uses the ChemAxon reactor software, Open Babel, and SMIRKS to link the database together with chemical reactions. ChemSink uses python and a MySQL to put all these tools to work and django to manage the web interface and login system. The web server uses Mod_python and apache2 to serve this website. ChemAxon and Tomcat are used to generate all of the chemical depictions. The chemical search uses Open Babel, Lucene, and MySQL.
My compound/reaction is not in the database!Ultimately, you will also be able to add your own chemicals reactions to the database.
What features should I expect in the future?
- Submitting of user defined reactions
- The ability to update reaction definitions with more specific rules
- Better profile management
- Better organization of reaction types(ie all carbon-carbon bond forming reactions will be listed together)
- More Reactions...currently have 2.5 million
- Stereochemistry(functionality is in place, just trying to keep the database size down at first)
- More compounds...currently using around one million of the over 20 million available in the pubChem database
- email me with suggestions
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Chemical Reactions, Comments, Annotations, and Monographs are licensed under the GNU Free Documentation