Total results: 151
Document formats · Graphics Formats · Molecule file conversion with Molconvert ... Please note that the SMILES string part generated in CXSMILES format is not ...
Document formats · Graphics Formats · Molecule file conversion with Molconvert · Molecule Formats · CML · MDL MOL files · Daylight SMILES related formats ...
In these lines the very first word is the abbreviation, the second is the CXSMILES string representing the molecule fragment depicted by the abbreviation. These ...
Document, cxon. Chemaxon, Chemaxon Compressed Molfile, Molecule, csmol csrxn cssdf csrdf. Chemaxon, Chemaxon Extended SMILES, Molecule, cxsmiles. Chemaxon ...
Chemaxon Extended SMILES and SMARTS - CXSMILES and CXSMARTS · CXSMILES and CXSMARTS import and export options · Chemaxon SMILES Abbreviated Group. SMILES/SMARTS ...
The attachment orders are ascending with atom indexes. Exporting R-group attachment points is possible in Chemaxon Extended SMILES (CXSMILES). Since radicals ...
The stereochemical information can be exported in 2D and in CXSMILES. This option can be used in case of full structure, substructure, similarity, and ...
Document formats · Graphics Formats · Molecule file conversion with ... CXSMILES and CXSMARTS import and export options · Chemaxon SMILES Abbreviated ...
cxsmiles. smarts. cxsmarts. inchi. User defined header. User can define which header to use as identifier of the molecule column when importing structure. This ...
Available Format Keys in the Property File, and the Corresponding Formats ; cxsmiles, Chemaxon extended SMILES format ; cxsmarts, Chemaxon extended SMARTS format.