Published July 20, 2007 | https://doi.org/10.59350/arc2j-1ha32

OSRA: GPL-ed molecule drawing to SMILES convertor

Creators & Contributors

Igor wrote a message to the CCL mailing list about OSRA:

We would like to announce a new addition to the set of chemoinformatics tools available from the Computer-Aided Drug Design Group at the NCI-Frederick. OSRA is a utility designed to convert graphical representations of chemical structures, such as they appear in journal articles, patent documents, textbooks, trade magazines etc., into SMILES.

OSRA can read a document in any of the over 90 graphical formats parseable by ImageMagick (GIF, JPEG, PNG, TIFF, PDF, PS etc.) and generate the SMILES representation of the molecular structure images encountered within that document.

The email does not give any information on the fail rate, but the demo they provide via the webinterface does show some minor glitches (the bromine is not recognized):

The source reuses OpenBabel and uses the GPL license. The value equal to that of text mining tools like OSCAR3 , and together they sounds like the Jordan and Pippen of mining chemical literature.

Additional details

Description

Igor wrote a message to the CCL mailing list about OSRA:

Identifiers

UUID
4e06bdd2-3d44-447e-b549-c028dd453c9d
GUID
https://doi.org/10.59350/arc2j-1ha32
URL
https://chem-bla-ics.linkedchemistry.info/2007/07/20/osra-gpl-ed-molecule-drawing-to-smiles.html

Dates

Issued
2007-07-20T00:10:00
Updated
2025-02-22T00:00:00