JChem Base & Cartridge

ChemAxon b124dd5f17

06-12-2013 11:57:59





















































Product or products Title of feature Description of feature Description of related/alternative Version number
jchem base table regeneration If the user installs a new jchem version, he needs to regenerate the current database. Independent indexing for the database.
Even multiple jchem version can search (index) the same database.
6.4
jchem search vague bond level 1
1-atom-long aromatic ring ligands and bridging bonds between two aromatic rings
Those single or 'single or double' bonds that are connected to an aromatic ring are allowed to match to an aromatic bond, except if
- there is another ligand on the same ring atom, or
- the bond continues in a longer (more than 1 bond long) chain
see: http://www.chemaxon.com/jchem/doc/user/query_searchoptions.html
custom standardization 6.5+
jchem base table types Currently the user must choose a table type to store the molecules. Current options: molecule, reaction, markush, query, any. keep just any table 6.5+
jchem search cssr/sssr options User can select if ring matching is based on sssr or cssr. no option just cssr matching (user doesn't know what the hell are these two acronyms) 6.4
jchem search all vague bond level These search options allow to choose between several levels of strictness in matching bond types, especially regarding aromaticity. use standardization instead 6.5+
jchem search complicated (combinatorially expanding) search options We have too many search options Simplify options