Total results: 46
Chemaxon Extended SMILES/SMARTS is used for storing special features of the molecules after the SMILES string.
Chemaxon adds a header line to the smiles file, if the export of these additional information is requested by T option.
Chemaxon Configuration Folder · Chemical Fingerprints · Chemical Terms · File Formats · Basic export options · Compression and Encoding · Document formats ...
Examples. Example. Printing the SMILES string of a molecule in a molfile. molconvert smiles caffeine.mol. Copy.
SMILES | Chemaxon Docs · https://docs.chemaxon.com/display/docs/SMILES. Document formats · Graphics Formats · Molecule file conversion with ... Tripos SYBYL ...
Molecule Formats · CML · CML Export Options · MDL MOL files · MDL MOLfiles, RGfiles, SDfiles, Rxnfiles, RDfiles formats · Daylight SMILES related formats · SMILES.
Most molecular file formats are accepted (e.g. SMILES, SDF). If no input file name or SMILES string is given in the command line, input molecules are read from ...
There is a default limit on the length of the field cd_smiles for most RDBMS-s. If the majority of your molecules' SMILES representation is longer than this ...
In the query structures, the molecule strings which can be interpreted ambiguously like 'CCC' are - by default - handled as SMILES. Chemical Terms. Function ...
It recognizes and converts the chemical names (IUPAC, CAS, common and drug names), SMILES and InChI found in the document into chemical structures. Document to ...