Molassembler  1.0.0
Molecule graph and conformer library
 All Data Structures Namespaces Files Functions Variables Typedefs Enumerations Enumerator Macros Pages
Bibliographic References
[1]

William Earl Bennett. Computation of the number of isomers and their structures in coordination compounds. Inorganic Chemistry, 8(6):1325–1328, 1969.

[2]

Jeffrey M Blaney and J Scott Dixon. Distance Geometry in Molecular Modeling. Reviews in Computational Chemistry, 5:299–335, 2007.

[3]

Boris V. Cherkassky, Andrew V. Goldberg, and Tomasz Radzik. Shortest paths algorithms: Theory and experimental evaluation. Mathematical Programming, 73(2):129–174, 1996.

[4]

Henri A Favre and Warren H Powell. Nomenclature of organic chemistry: IUPAC recommendations and preferred names 2013. Royal Society of Chemistry, 2013.

[5]

Florian Flachsenberg, Niek Andresen, and Matthias Rarey. RingDecomposerLib: An Open-Source Implementation of Unique Ring Families and Other Cycle Bases. Journal of Chemical Information and Modeling, 57(2):122–126, 2017.

[6]

Timothy Havel and Kurt Wüthrich. A distance geometry program for determining the structures of small proteins and other macromolecules from nuclear magnetic resonance measurements of intramolecular 1H-1H proximities in solution. B. Math. Biol., 46(4):673–698, 1984.

[7]

Adrian Kolodzik, Sascha Urbaczek, and Matthias Rarey. Unique ring families: A chemically meaningful description of molecular ring topologies. Journal of Chemical Information and Modeling, 52(8):2013–2021, 2012.

[8]

Mark Pinsky and David Avnir. Continuous Symmetry Measures. 5. The Classical Polyhedra. Inorg. Chem., 37(21):5575–5582, 1998.