Chemical Descriptors Library: References

Chemical Descriptors Library: References

  1. Cheminformatics
    1. Weininger, D.; Weininger, A.; Weininger, J.; "SMILES 2. Algorithm for Generation of Unique SMILES Notation". J.Chem.Inf.Comp.Sci. 1989, 29, 97-101.
    2. Figueras, J.; "Ring Perception Using Breadth-First Search"; J.Chem.Inf.Comp.Sci. 1996, 36, 986-991.
    3. Schneider, G., Neidhart, W., Giller, T., Schmid G., "'Scaffold-Hopping' by Topological Pharmacophore Search: A Contribution to Virtual Screening". Communications of Angew. Chem. Int. Ed. 1999,38,No.19.
    4. Raymond, J.; Gardiner, E.; Willett, P. "Heuristics for similarity searching of chemical graphs using a maximum common edge subgraph algorithm". J. Chem. Inf. Compu. Sci. 2002. 42, 305-316.
    5. Brown, McKay, Gilardoni, Gasteiger. "A Graph-Based Genetic Algorithm and Its Application to the Multiobjective Evolution of Median Molecules". J. Chem. Inf. Comp. Sci. 2004. 44. 1079-1087.
    6. Gasteiger, Marsili. "Iterative Partial Equalization of Orbital Electronegativity - A rapid Access to Atomic Charges". Tetrahedron. Vol. 36. pp. 3219-3288. 1979.
    7. Xing, Glen. "Novel Methods for the Prediction of LopP, pKa, and LogD". J. Chem. Inf. Comput. Sci. 2002. Vol 42. pp. 796-805.
  2. Computer Sciences
    1. JR Ullmann. Journal of the Association for Computing Machinery, Vol 23, No.1, January 1976, pp 31-42.
    2. N. Christofides. "Graph Theory: An algorithmic approach". Academic press. 1975.
    3. Bron C., Kerbosch, J. "Algorithm 475, Finding All Cliques from an Undirected Graph". ACM Bit. 1971.
    4. Kukluk. "Algorithm and experiments in Testing planar graphs for Isomorphism". Journal of Graph Algorithms and Applications. Vol 8. No.2. pp. 101-104. 2004.
  3. Programming
    1. Bjarne Stroustrup. "The C++ Programming Language". Addison-Wesley Professional; 3 edition (February 15, 2000). 911 pp.
    2. Nicolai Josuttis. "The C++ Standard Library : A Tutorial and Reference". Addison-Wesley Professional; 1st edition (August 12, 1999). 832 pp.
    3. Krzysztof Czarnecki; Ulrich Eisenecker. "Generative Programming: Methods, Tools, and Applications". Addison-Wesley Professional; 1st edition (June 6, 2000). 864 pp.

Copyright (c) Vladimir Josef Sykora 2003-2006