CACTVS Translate Service
Input Format Unique SMILES Output Format
(Unique SMILES)


Please choose this field if you want to submit your own SMILES strings or create a SMILES string using the Structure Editor. A submitted file has precedence, so delete any entry below if you want to submit a new SMILES string.
Display on screen
SMILES TXT file
SDF
PDB
MOL (only single structure generated)
Use
Kekule or
Aromatic
SMILES representation (choose "Aromatic" for closer approximation to Daylight USMILES)

SD, PDB or MOL files should contain
2D
3D
coordinates

Please choose this field if you want to translate your own files. The service will automatically recognize SD files (single and multiple structure), text files with multiple SMILES fields, MOL files and PDB files (and in fact any other format CACTVS recognizes).
If the input file contains a single structure, the output will also be single structure. Multiple structure input formats will generate multiple structure output for those formats that support this. Otherwise, only the first structure will be used. SD files will contain a UNIQUE_SMILES field for unique SMILES and an USER_SUPPLIED_SMILES field for the user-supplied SMILES (if avaliable)

Read about our new web services at http://cactvs.nci.nih.gov/blog
Bug reports, comments or questions?

Last Update: 2011-01-15