Introduction

At SciTouch LLC, we have extensive experience in developing organic chemistry software products for use in pharmaceutical companies, research institutes, and universities. Now we are ready to contribute a range of these software products to the open-source community. Our objective has always been to develop products of high quality and excellent performance. We hope that our software will be helpful for chemists around the world. We encourage our users to provide us with feedback, including bug reports and patches, and to contact us about the possibility of a commercial license, if desired.

We have dedicated this site to Indigo — our next-generation organic chemistry toolkit. The code base is shared among the projects. All of the tools are written in C++, while a number of C# and Java wrappers are available.

Our organic chemistry tools incorporate fresh implementations of graph algorithms, as well as original chemistry algorithms. Some information is available in the Resources page.

Product Highlights

  • Bingo: Cartridge for Oracle database supporting a wide range of searches in organic chemistry databases. Absolute portability, great scalability, plus unique features like:
    • Resonance substructure search
    • Tautomer substructure search with user-defined rules
    • Canonical (absolute) SMILES computation
    • Fast table update with no need to rebuild the index
    • Multi-threaded table indexing
  • Dingo: Molecule and reaction rendering library with C# wrapper and command-line utility. Best picture quality among all available products. Excellent portability. Easy SVG support. Automatic layout for SMILES-represented molecules and reactions.
  • Cano: Canonical SMILES computation library with C# wrapper. Unique support of tetrahedral and cis-trans stereochemistry features.
  • Deco: R-Group deconvolution and scaffold detection library and command-line utility. Pioneer work in computing the exact maximum common substructure of arbitrary amount of input structures.
  • Nucleo: Nucleotide chain handling library with Java wrapper. Includes canonical SMILES computation.

Warning: Some pages contain inline SVG and are not displayed properly in Internet Explorer. This can be fixed by installing the Renesis plugin for IE. It is free and suitable for IE 6, 7, and 8. Mozilla Firefox, Apple Safari, Google Chrome, and Opera 10 have native SVG support.

Availability

All tools are licensed under GPL v3 (Bingo is licensed under GPL v3 with an exception for Oracle database). Please go to the Downloads page to try the tools and/or download the source code.

We have dual-licensed our organic chemistry products. If the GPL-licensed product does not fit your needs, please contact us at info@scitouch.net to discuss the purchase of a commercial license. You may need the commercial license if you want to:

  • Receive ongoing support and maintenance of our products
  • Include our products as components in your proprietary software product
  • Use Bingo with Oracle that is licensed with a license other than the OTN Developer License

Feedback

Did you find a bug? Do you need a feature? Do you want to send a patch to us? Do you need assistance using our tools? Please write to one of the following newsgroups and let us know:

http://groups.google.com/group/indigo-bugs : for bug reports on all Indigo projects.

http://groups.google.com/group/indigo-dev : for development topics.

http://groups.google.com/group/indigo-general : for any other discussions.

Our Plans

What is keeping us busy:

  • More resources for the Open-Source community about our unique algorithms
  • Public access to our SVN repository
  • C API for our code, with proper documentation
  • Java, C#, Ruby, and Python wrappers for our code
  • Support of polymers
  • More format support (SMARTS and SMIRKS queries, InChI, MRV and CDX sketches, etc.)
  • Support for OpenSolaris and Windows 7
  • Public web services for rendering structures, identifying structures, searching structures, etc.
  • Combinatorial chemistry
  • Recognition of structures from scanned chemistry articles
  • Porting Dingo to Javascript

Again, please engage with us and share your responses to our tools.

 
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