Comments on: Does the CDK Fingeprint works? Something went wrong. http://chemhack.com/2009/03/does-the-cdk-fingeprint-works-something-went-wrong/ Hacking the chemistry world. Fri, 04 May 2012 07:58:36 +0000 hourly 1 http://wordpress.org/?v=3.3.1 By: Dmitry Pavlov http://chemhack.com/2009/03/does-the-cdk-fingeprint-works-something-went-wrong/comment-page-1/#comment-248 Dmitry Pavlov Wed, 04 Nov 2009 22:25:26 +0000 http://chemhack.com/?p=282#comment-248 Hello Duan, My name is Dmitry Pavlov. I work for SciTouch LLC. Recently released our cheminformatics toolkit called Indigo. It consists of five software products: Bingo: Cartridge for Oracle database supporting a wide range of searches in molecule and reaction databases. Dingo: Molecule and reaction rendering library with a C# wrapper and a command-line utility. Cano: Canonical SMILES computation library with a C# wrapper. Deco: R-Group deconvolution and scaffold detection library and a command-line utility. Nucleo: Nucleotide chain handling library with a Java wrapper. It is all open-source and licensed under the terms of GPL v3. From your blog, I figured that you may be interested in new products for organic chemistry. If you are interested, please read further on our site: http://opensource.scitouch.net/indigo/ With best regards, Dmitry Hello Duan,

My name is Dmitry Pavlov. I work for SciTouch LLC.
Recently released our cheminformatics toolkit
called Indigo. It consists of five software products:

Bingo: Cartridge for Oracle database supporting a wide range of searches in molecule and reaction databases.
Dingo: Molecule and reaction rendering library with a C# wrapper and a command-line utility.
Cano: Canonical SMILES computation library with a C# wrapper.
Deco: R-Group deconvolution and scaffold detection library and a command-line utility.
Nucleo: Nucleotide chain handling library with a Java wrapper.

It is all open-source and licensed under the terms of GPL v3.

From your
blog, I figured that you may be interested in new
products for organic chemistry. If you are interested,
please read further on our site:

http://opensource.scitouch.net/indigo/

With best regards,

Dmitry

]]> By: Egon Willighagen http://chemhack.com/2009/03/does-the-cdk-fingeprint-works-something-went-wrong/comment-page-1/#comment-85 Egon Willighagen Mon, 16 Mar 2009 19:31:44 +0000 http://chemhack.com/?p=282#comment-85 Phew... happy to hear you found the problem. Phew… happy to hear you found the problem.

]]> By: Does the CDK Fingerprints Work? Substructure search » ChemHack http://chemhack.com/2009/03/does-the-cdk-fingeprint-works-something-went-wrong/comment-page-1/#comment-84 Does the CDK Fingerprints Work? Substructure search » ChemHack Mon, 16 Mar 2009 16:12:52 +0000 http://chemhack.com/?p=282#comment-84 [...] The test code used in this post has fatal error, which caused the test result to be completely correct. Please see details here. [...] [...] The test code used in this post has fatal error, which caused the test result to be completely correct. Please see details here. [...]

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