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superpyrins superposition [19 articles]

Neue Publikationen in superpyrins Bibliothek eingetragen unter dem Bezeichner: superposition. You can also see everyone's superposition.
  • Field interaction and geometrical overlap: a new simplex and experimental design based computational procedure for superposing small ligand molecules.
    J Med Chem, Vol. 46, No. 8. (10 April 2003), pp. 1359-1371.
    by F Melani, P Gratteri, M Adamo, C Bonaccini
    posted to superposition by superpyrin on 2007-09-01 12:00:54 as ** along with 1 person tjimenez
  • Similarity Searching Using Reduced Graphs
    J. Chem. Inf. Model., Vol. 43, No. 2. (24 March 2003), pp. 338-345.
    by VJ Gillet, P Willett, J Bradshaw
    posted to superposition by superpyrin on 2007-09-01 11:47:24 as ** along with 3 people nachtalp apostola peprovy
  • Further development of reduced graphs for identifying bioactive compounds.
    J Chem Inf Comput Sci, Vol. 43, No. 2. (r 2003), pp. 346-356.
    by EJ Barker, EJ Gardiner, VJ Gillet, P Kitts, J Morris
    posted to superposition by superpyrin on 2007-09-01 11:38:54 as ** along with 1 person nachtalp
  • Automatic identification of molecular similarity using reduced-graph representation of chemical structure
    J. Chem. Inf. Comput. Sci., Vol. 32 (1992), pp. 639-643.
    by Yoshimasa Takahashi, Masayuki Sukekawa, Shinichi Sasaki
    posted to superposition by superpyrin on 2007-08-05 09:59:09 as **
  • A shortest augmenting path algorithm for dense and sparse linear assignment problems
    Computing, Vol. 38, No. 4. (10 December 1987), pp. 325-340.
    by R Jonker, A Volgenant
    posted to superposition by superpyrin on 2007-08-04 12:23:18 as **
  • Application of the Novel Molecular Alignment Method Using the Hopfield Neural Network to 3D-QSAR
    J. Chem. Inf. Model., Vol. 43, No. 5. (22 September 2003), pp. 1396-1402.
    by M Arakawa, K Hasegawa, K Funatsu
    posted to superposition by superpyrin on 2007-08-03 22:39:38 as **
  • Novel Alignment Method of Small Molecules Using the Hopfield Neural Network
    J. Chem. Inf. Model., Vol. 43, No. 5. (22 September 2003), pp. 1390-1395.
    by M Arakawa, K Hasegawa, K Funatsu
    posted to superposition by superpyrin on 2007-08-02 13:18:32 as **
  • Alignment of three-dimensional molecules using an image recognition algorithm
    Journal of Molecular Graphics and Modelling, Vol. 23, No. 2. (October 2004), pp. 199-209.
    by Nicola J Richmond, Peter Willett, Robert D Clark
    posted to superposition by superpyrin on 2007-08-02 12:54:37 as ** along with 2 people dario daevans
  • Feature trees: A new molecular similarity measure based on tree matching
    Journal of Computer-Aided Molecular Design, Vol. 12, No. 5. (1998), pp. 471-490.
    by Matthias Rarey, Scott J Dixon
    posted to superposition by superpyrin on 2007-08-01 13:47:47 as **
  • RigFit: a new approach to superimposing ligand molecules.
    J Comput Aided Mol Des, Vol. 12, No. 5. (September 1998), pp. 491-502.
    by C Lemmen, C Hiller, T Lengauer
    posted to superposition by superpyrin on 2007-08-01 13:28:45 as ** along with 2 people tjimenez schlauchi
  • Comment on "Isomorphism, Automorphism Partitioning, and Canonical Labeling Can Be Solved in Polynomial-Time for Molecular Graphs"
    J. Chem. Inf. Comput. Sci., Vol. 39 (1999), 640.
    by Bo T Fan, Annick Panaye, Jean-Pierre Doucet
    posted to superposition by superpyrin on 2007-07-31 09:31:13 as **
  • Detection of Constitutionally Equivalent Sites from a Connection Table
    J. Chem. Inf. Model., Vol. 36, No. 4. (24 July 1996), pp. 654-659.
    by BT Fan, A Barbu, A Panaye, JP Doucet
    posted to superposition by superpyrin on 2007-07-31 09:24:25 as **
  • Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm
    J. Chem. Inf. Model., Vol. 42, No. 2. (25 March 2002), pp. 305-316.
    by JW Raymond, EJ Gardiner, P Willett
    posted to superposition by superpyrin on 2007-07-30 14:20:18 as ** along with 1 person Evangelia
  • Maximum common subgraph isomorphism algorithms for the matching of chemical structures
    Journal of Computer-Aided Molecular Design, Vol. 16 (July 2002), pp. 521-533.
    by JW Raymond
    posted to superposition by superpyrin on 2007-07-29 09:33:54 as **
  • Graph-Based Molecular Alignment (GMA)
    J. Chem. Inf. Model., Vol. 47, No. 2. (26 March 2007), pp. 591-601.
    by J Marialke, R Korner, S Tietze, J Apostolakis
    posted to superposition by superpyrin on 2007-07-28 16:43:56 as ** along with 2 people schlauchi sim82
  • RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs
    The Computer Journal, Vol. 45, No. 6. (1 June 2002), pp. 631-644.
    by John W Raymond, Eleanor J Gardiner, Peter Willett
    posted to superposition by superpyrin on 2007-07-28 16:40:10 as read along with 7 people BragilMassoud schlauchi koerner jarasch simons noby jcrab
  • FLEXS: a method for fast flexible ligand superposition.
    J Med Chem, Vol. 41, No. 23. (5 November 1998), pp. 4502-4520.
    by C Lemmen, T Lengauer, G Klebe
    posted to superposition by superpyrin on 2007-07-28 11:19:34 as ** along with 3 people tjimenez nachtalp schlauchi
  • Computational methods for the structural alignment of molecules.
    J Comput Aided Mol Des, Vol. 14, No. 3. (March 2000), pp. 215-232.
    by C Lemmen, T Lengauer
    posted to superposition by superpyrin on 2007-07-26 23:44:03 as ** along with 4 people BragilMassoud tjimenez nachtalp schlauchi
  • FLAME: A Program to Flexibly Align Molecules
    J. Chem. Inf. Model., Vol. 46, No. 1. (23 January 2006), pp. 298-306.
    by SJ Cho, Y Sun
    posted to superposition by superpyrin on 2007-07-26 23:37:54 as ** along with 1 person schlauchi
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