What's new in JChem back-end and Markush storage, search and enumeration.

presentation · 11 years ago
by Szabolcs Csepregi (ChemAxon)
JChem Cartridge Markush search Markush enumeration JChem Base

JChem Base is a chemical database management toolkit to handle molecules, chemical reactions and Markush structures and associated data (user-defined or predicted), stored in relational databases. JChem Cartridge provides similar functionality highly integrated into Oracle as well as an Oracle interface to other ChemAxon products.

This presentation will overview the two above systems, with special attention to Markush structure storage, searching and enumeration. Latest and near future developments will also be introduced including: position variation queries and repeating groups, attached data and polymer representation, undefined R-atom searching, homology groups (alkyl, aryl, etc.), performance improvements, example AJAX client and Web Services interface, new metrics and other improvements for similarity search, installation improvements, registration system API.