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MolDB: Cheminformatics tools

Helium 0.2 Released. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. The release notes contain more details about this second release. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. Smiley is SMILES/SMARTS parser written in C . It strictly adheres to the OpenSMILES specification although less strict parsing can optionally be enabled.

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MolDB: Cheminformatics tools | opensmarts.org Reviews

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Helium 0.2 Released. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. The release notes contain more details about this second release. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. Smiley is SMILES/SMARTS parser written in C . It strictly adheres to the OpenSMILES specification although less strict parsing can optionally be enabled.

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MolDB: Cheminformatics tools | opensmarts.org Reviews

https://opensmarts.org

Helium 0.2 Released. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. The release notes contain more details about this second release. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. Smiley is SMILES/SMARTS parser written in C . It strictly adheres to the OpenSMILES specification although less strict parsing can optionally be enabled.

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opensmarts.org

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MolDB: Cheminformatics tools

http://www.opensmarts.org/index.html

Helium 0.2 Released. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. The release notes contain more details about this second release. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. Smiley is SMILES/SMARTS parser written in C . It strictly adheres to the OpenSMILES specification although less strict parsing can optionally be enabled.

2

MolDB: Cheminformatics tools

http://www.opensmarts.org/smiley.html

Smiley A SMILES/SMARTS parser. Single C 03 header file. Custom functors to handle events. Cross-platform (Linux, Mac OSX, Windows). Smiley reports both syntax and semantics errors by throwing exceptions containing a description of the error, a unique error code, the position and the length of the error in the SMILES/SMARTS string. The smiley source code is hosted on github. The documentation can be found here. Bugs can be reported using the github issue tracker.

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MolDB: Cheminformatics tools

http://www.opensmarts.org/helium.html

Helium A lightweight cheminformatics toolkit. The list below contains some general information about the project. Cross-platform (Linux, Mac OSX, Windows). Modular and flexible design ( C generic programming using templates. Helium release 0.1.0 contains the following features:. Algorithms: depth-first and breath-first search, canonicalization, Morgan's extended connectivities, relevant cycles, path/tree/subgraph based fingerprints. The current release is version 0.2.0 which can be downloaded here. If yo...

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MolDB: Cheminformatics tools

Helium 0.2 Released. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. The release notes contain more details about this second release. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. Smiley is SMILES/SMARTS parser written in C . It strictly adheres to the OpenSMILES specification although less strict parsing can optionally be enabled.

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