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kuhn similarity [27 articles]

最近 kuhn さんのライブラリに追加された論文の中から タグ similarity. You can also see everyone's similarity.
  • Analysis of System Structure-Function Relationships
    ChemMedChem, Vol. 2, No. 12. (2007), pp. 1774-1782.
    by Anton F Fliri, William T Loging, Robert A Volkmann
    posted to activity_profile biospectra side_effects similarity by kuhn on 2008-01-18 13:21:14 as **
  • Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors.
    J Med Chem, Vol. 49, No. 23. (16 November 2006), pp. 6802-6810.
    by JH Nettles, JL Jenkins, A Bender, Z Deng, JW Davies, M Glick
    posted to chemical similarity structure by kuhn on 2007-10-23 14:49:33 as ** along with 1 person tjimenez
  • Chemical similarity searching
    JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, Vol. 38, No. 6. (1998), pp. 983-996.
    by P Willett, JM Barnard, GM Downs
    posted to chemical similarity by kuhn on 2007-09-12 13:46:00 as ** along with 1 person jerome
  • Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics.
    Curr Pharm Des, Vol. 12, No. 17. (2006), pp. 2111-2120.
    by C Steinbeck, C Hoppe, S Kuhn, M Floris, R Guha, EL Willighagen
    posted to chemical similarity tool by kuhn on 2007-08-07 15:27:05 as ** along with 2 people egonw noby
  • The relationship between the sequence identities of alpha helical proteins in the PDB and the molecular similarities of their ligands.
    J Chem Inf Comput Sci, Vol. 41, No. 6. (c 2001), pp. 1617-1622.
    by JB Mitchell
    posted to chemical pdb protein similarity structure by kuhn on 2007-06-06 13:44:13 as **
  • Mathematical Correction for Fingerprint Similarity Measures to Improve Chemical Retrieval.
    J Chem Inf Model (20 April 2007)
    by S J Swamidass, Pierre Baldi
    posted to chemical error similarity by kuhn on 2007-05-03 13:52:08 as ** along with 2 people baldigroup dullhunk
  • Relating protein pharmacology by ligand chemistry
    Nature Biotechnology, Vol. 25, No. 2. (07 February 2007), pp. 197-206.
    by Michael J Keiser, Bryan L Roth, Blaine N Armbruster, Paul Ernsberger, John J Irwin, Brian K Shoichet
    posted to drug drugdiscovery p prediction similarity by kuhn on 2007-02-16 14:15:57 as ** along with 7 people ucbcjbm Yanno tjimenez daevans massivemayhem dgront jerome_ucsf_slb
  • Enzyme classification by ligand binding.
    Proteins, Vol. 57, No. 4. (1 December 2004), pp. 711-724.
    by S Izrailev, MA Farnum
    posted to chemical enzyme function similarity structure by kuhn on 2006-09-22 15:32:05 as ** along with 1 person BragilMassoud
  • How Well is Enzyme Function Conserved as a Function of Pairwise Sequence Identity?
    Journal of Molecular Biology, Vol. 333, No. 4. (31 October 2003), pp. 863-882.
    by Weidong Tian, Jeffrey Skolnick
    posted to enzyme evolution function similarity by kuhn on 2006-09-22 15:14:36 as **
  • Evolution of enzyme superfamilies
    Current Opinion in Chemical Biology, Vol. 10, No. 5. (October 2006), pp. 492-497.
    by Margaret E Glasner, John A Gerlt, Patricia C Babbitt
    posted to enzyme evolution p review similarity by kuhn on 2006-09-22 10:33:35 as ** along with 4 people and 1 group tny robert caporaso ucbcjbm biomedical-nlp
  • notes Molecular similarity and diversity in chemoinformatics: From theory to applications
    Molecular Diversity, Vol. 10, No. 1. (February 2006), pp. 39-79.
    by AT Maldonado, JP Doucet, M Petitjean, BT Fan
    posted to chemical review similarity by kuhn on 2006-09-06 09:15:14 as ** along with 1 person usr
  • Do structurally similar molecules have similar biological activity?
    J Med Chem, Vol. 45, No. 19. (12 September 2002), pp. 4350-4358.
    by YC Martin, JL Kofron, LM Traphagen
    posted to activity_profile chemical p similarity by kuhn on 2006-09-06 08:08:57 as ** along with 1 person and 2 groups sangeetha Bioinformatics insilicodrug
  • Graph kernels for chemical informatics.
    Neural Netw, Vol. 18, No. 8. (October 2005), pp. 1093-1110.
    by L Ralaivola, SJ Swamidass, H Saigo, P Baldi
    posted to bioassay chemical machine_learning similarity by kuhn on 2006-08-15 10:45:16 as ** along with 2 people girschick baldigroup
  • Evaluating chemical structure similarity as an indicator of cellular growth inhibition.
    J Chem Inf Model, Vol. 46, No. 1. (b 2006), pp. 430-437.
    by A Wallqvist, R Huang, N Thanki, DG Covell
    posted to cancer chemical p similarity by kuhn on 2006-06-28 12:17:07 as **
  • Similarity and Dissimilarity Methods for Processing Chemical Structure Databases
    The Computer Journal, Vol. 41, No. 8. (1 August 1998), pp. 547-558.
    by VJ Gillet, DJ Wild, P Willett, J Bradshaw
    posted to chemical similarity by kuhn on 2006-06-28 08:29:15 as **
  • Similarity-based approaches to virtual screening.
    Biochem Soc Trans, Vol. 31, No. Pt 3. (June 2003), pp. 603-606.
    by P Willett
    posted to chemical similarity by kuhn on 2006-06-28 08:27:12 as ** along with 1 person jerome
  • A Pharmacological Map of the PI3-K Family Defines a Role for p110alpha in Insulin Signaling.
    Cell, Vol. 125, No. 4. (19 May 2006), pp. 733-747.
    by ZA Knight, B Gonzalez, ME Feldman, ER Zunder, DD Goldenberg, O Williams, R Loewith, D Stokoe, A Balla, B Toth, T Balla, WA Weiss, RL Williams, KM Shokat
    posted to drugdiscovery similarity by kuhn on 2006-05-23 08:17:24 as **
  • Navigating chemical space for biology and medicine
    Nature, Vol. 432, No. 7019. (16 December 2004), pp. 855-861.
    by Christopher Lipinski, Andrew Hopkins
    posted to chemical similarity structure by kuhn on 2006-02-14 16:10:25 as ** along with 6 people and 4 groups BragilMassoud jxl marcius caporaso blackbart jerome_ucsf_slb EC biomedical-nlp BioinfoCIPF SGU-CIPF
  • Enzyme function less conserved than anticipated.
    J Mol Biol, Vol. 318, No. 2. (26 April 2002), pp. 595-608.
    by B Rost
    posted to enzyme function similarity by kuhn on 2006-02-06 15:27:28 as ** along with 2 people cjeans shung
  • Classifying "kinase inhibitor-likeness" by using machine-learning methods.
    Chembiochem, Vol. 6, No. 3. (March 2005), pp. 558-566.
    by H Briem, J Günther
    posted to drug kinase machine_learning similarity by kuhn on 2006-01-20 10:52:59 as read along with 2 people ucbcjbm hans228klavier
  • Compound library development guided by protein structure similarity clustering and natural product structure.
    Proc Natl Acad Sci U S A, Vol. 101, No. 48. (30 November 2004), pp. 16721-16726.
    by MA Koch, LO Wittenberg, S Basu, DA Jeyaraj, E Gourzoulidou, K Reinecke, A Odermatt, H Waldmann
    posted to design drug protein similarity by kuhn on 2006-01-20 08:36:18 as *****
  • Design of compound libraries based on natural product scaffolds and protein structure similarity clustering (PSSC)
    Molecular BioSystems, Vol. 1, No. 1. (May 2005), pp. 36-45.
    by Rengarajan Balamurugan, Frank J Dekker, Herbert Waldmann
    posted to design drug similarity by kuhn on 2006-01-20 08:20:06 as **
  • SIMAP: the similarity matrix of proteins.
    Nucleic Acids Res, Vol. 34, No. Database issue. (1 January 2006)
    by T Rattei, R Arnold, P Tischler, D Lindner, V Stümpflen, HW Mewes
    posted to alignment database nar2006 protein similarity by kuhn on 2006-01-02 20:23:54 as ** along with 1 person incovoma
  • Anatomy of fingerprint search calculations on structurally diverse sets of active compounds.
    J Chem Inf Model, Vol. 45, No. 6. (c 2005), pp. 1812-1819.
    by JW Godden, FL Stahura, J Bajorath
    posted to chemical p similarity structure by kuhn on 2005-12-20 12:18:47 as **
  • Comparison of 2D similarity and 3D superposition. Application to searching a conformational drug database.
    J Chem Inf Comput Sci, Vol. 44, No. 5. (t 2004), pp. 1816-1822.
    by M Thimm, A Goede, S Hougardy, R Preissner
    posted to chemical database drug similarity structure by kuhn on 2005-12-19 14:59:42 as **
  • SuperLigands - a database of ligand structures derived from the Protein Data Bank.
    BMC Bioinformatics, Vol. 6, No. 1. (19 May 2005)
    by E Michalsky, M Dunkel, A Goede, R Preissner
    posted to chemical database pdb similarity by kuhn on 2005-12-19 14:38:44 as ** along with 1 person ucbcjbm
  • Similarity metrics for ligands reflecting the similarity of the target proteins.
    J Chem Inf Comput Sci, Vol. 43, No. 2. (r 2003), pp. 391-405.
    by A Schuffenhauer, P Floersheim, P Acklin, E Jacoby
    posted to chemical drug interaction protein similarity by kuhn on 2005-12-08 10:42:07 as ** along with 1 person snuppepuppan
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