Chemistry Apps

The Chemistry Apps menu of this website contains small interactive cheminformatics apps that may prove useful to synthetic or mecinal chemists. They allow you to easily

  • search for literature precedents of chemical reactions (WebReactions)
  • predict physico-chemical properties from molecular structures (Property Explorer)
  • explore molecule conformations by showing typical dihedral angles of rotatable bonds (Torsion Explorer)

Requirements: All apps in the Chemistry Apps menu are written in the Java programming language and, therefore, require a working Java Runtime Environment (JRE) to be installed on your computer. To verify, whether a JRE is installed, you may type "java -version" in a terminal or shell. If you get a message saying that "java" is not known, then you may install the latest JRE from http://java.com/en/download.

Privacy: If you draw chemical structures in Property Explorer or Torsion Explorer, then no information is sent back to the server. These apps carry their prediction databases as part of the app itself. However, converting a chemical name, CAS-number or SMILES string to a structure cannot be done in a small app. For converting a name into a chemical structure, the name is sent to the openmolecules server and a structure is returned. Reaction searches with WebReactions are also done on the server side. While we don't use that information nor disclose any of it to third parties, there is a remote chance that a third party would intercept, decode and interpret the communication between app and server. Thus, to be on the safe side, you may prefer not to use the name-to-structure lookup or search the reaction database with proprietory data.