Ambit-Tautomer

Ambit-Tautomer is a tool to generate all tautomers of a selected organic compound. The Ambit-Tautomer algorithm ranks tautomers by energy and by empiric rules. It includes functions to generate tautomers by combinatorial, improved combinatorial, and incremental depth-first search algorithms. See AMBIT.

Topic

Cheminformatics;Metabolomics;Protein structure analysis;Enzymes

Detail

  • Operation: Generation

  • Software interface: Command-line user interface

  • Language: Java

  • License: GNU Lesser General Public License 2.1

  • Cost: Free

  • Version name: 2.0.0

  • Credit: -

  • Input: -

  • Output: -

  • Contact: -

  • Collection: AMBIT

  • Maturity: Stable

Publications

  • Ambit-Tautomer: An Open Source Tool for Tautomer Generation.
  • Kochev NT, Paskaleva VH, Jeliazkova N. Ambit-Tautomer: An Open Source Tool for Tautomer Generation. Mol Inform. 2013 Jun;32(5-6):481-504. doi: 10.1002/minf.201200133. Epub 2013 Jun 3. PMID: 27481667.
  • https://doi.org/10.1002/minf.201200133
  • PMID: 27481667
  • PMC: -

Download and documentation

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