About openmolecules.org

openmolecules.org was created for the purpose of supporting synthetic and medicinal chemists with advanced cheminformatics tools to ease their professional life. It is meant as a platform to publish interactive cheminformatics functionality as alternative to merely publishing papers about cheminformatics concepts or algorithms, which are sometimes hard to reproduce and often difficult to benefit from for the average reader. Tools on this website are and will stay free to be used for any purpose.

This site is owned and maintained by Thomas Sander, who has a PhD in organic chemistry, developed an organic reaction retrieval system during his postdoc and spend then more than 20 years in the pharmaceutical industry mainly designing and developing cheminformatics tools, algorithms, and databases. Currently, he is in charge of the drug discovery informatics department at Actelion Pharmaceuticals Ltd.

This site benefits from user comments and requests to improve. Please feel encouraged to leave your criticisms and enhancement requests. If you are a cheminformatics enthusiast yourself and would like to contribute (e.g. with a pKa prediction algorithm that works), please contact us.