Total results: 58
Basic export options · Compression and Encoding · Document formats · Graphics Formats · Molecule file conversion with Molconvert · Molecule Formats · CML · MDL ...
Input and output of cxcalc. cxcalc takes molecules from text files or from SMILES strings. Most molecular file formats are accepted (e.g. SMILES, SDF).
smiles -k ECFP -c ecfp_config.xml -2. Copy. DescriptorGenerator API. Using the DescriptorGenerator class, the functions getAsString() and getAsIntArray() give ...
List of Chemaxon extended smiles strings; List of IUPAC names; ISISDraw sketch file - SKC; ChemDraw sketch file - CDX, CDXML. For structures represented as ...
The operators will therefore throw an exception to remind you of a missing index. If the value of the smiles column of the current row is NULL then a NULL value ...
Document to Structure · JChem Base · JChem Choral · JChem Microservices · JChem ... This user documentation consists of the following parts: Getting Started ...
Daylight file types (smiles, smarts): Wedges mean absolute stereo configuration, the structure represents a single enantiomer. Cis-Trans isomerism. The ...
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 ...
This document compares the main functional differences between JChem Oracle Cartridge (JOC) and JChem Postgres Cartridge (JPC) and their reasons.
Bug fixes: Pasting a structure with aromatic nitrogens in SMILES resulted in an incorrect number of hydrogens. Placing an expanded Glu or Asp on the canvas ...