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jeromes library [57 articles]

Nye artikler sendt til jeromes bibliotek.
  • Strategies for compound selection.
    Current drug discovery technologies, Vol. 1, No. 3. (October 2004), pp. 211-220.
    by MM Olah, CG Bologa, TI Oprea
    posted to compound_selection chemical_space by jerome on 2008-09-24 13:58:19 as ***
  • Discovery of Power-Laws in Chemical Space
    J. Chem. Inf. Model. (4 June 2008)
    by Ryan W Benz, Joshua S Swamidass, Pierre Baldi
    posted to baldi chemical_space information_retrieval networks by jerome on 2008-06-10 23:34:44 as **
  • Statistical Analysis of the Effects of Common Chemical Substituents on Ligand Potency
    J. Med. Chem. (4 January 2008)
    by Philip J Hajduk, Daryl R Sauer
    posted to no-tag by jerome on 2008-01-04 18:29:57 as *** along with 2 people massivemayhem higueruelo
  • G-protein-coupled receptors: Crystal clear
    Nature Reviews Drug Discovery, Vol. 7, No. 1., pp. 19-19.
    by Charlotte Harrison
    posted to no-tag by jerome on 2008-01-04 18:28:43 as *** along with 1 person psique
  • The Trouble with QSAR (or How I Learned To Stop Worrying and Embrace Fallacy)
    J. Chem. Inf. Model. (28 December 2007)
    by SR Johnson
    posted to no-tag by jerome on 2008-01-04 18:26:48 as *** along with 3 people and 1 group daevans skydream elvinado Cheminformatics
  • Protein therapeutics: a summary and pharmacological classification
    Nature Reviews Drug Discovery, Vol. 7, No. 1., pp. 21-39.
    by Benjamin Leader, Quentin J Baca, David E Golan
    posted to no-tag by jerome on 2008-01-04 18:25:57 as **** along with 1 person jyuh
  • The Scaffold Tree - Visualization of the Scaffold Universe by Hierarchical Scaffold Classification
    J. Chem. Inf. Model., Vol. 47, No. 1. (22 January 2007), pp. 47-58.
    by A Schuffenhauer, P Ertl, S Roggo, S Wetzel, MA Koch, H Waldmann
    posted to schuffenhauer_ansgar scaffold_hopping mcs by jerome on 2007-01-23 23:58:34 as ** along with 4 people sschurer mdimmic dgruiz sithmein
  • Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces
    J. Chem. Inf. Model., Vol. 47, No. 1. (22 January 2007), pp. 39-46.
    by M Vogt, JW Godden, J Bajorath
    posted to bayesian_learning bayesian_alternates by jerome on 2007-01-23 23:56:26 as ** along with 2 people daevans sithmein
  • Structure-based maximal affinity model predicts small-molecule druggability
    Nature Biotechnology, Vol. 25, No. 1. (08 January 2007), pp. 71-75.
    by Alan C Cheng, Ryan G Coleman, Kathleen T Smyth, Qing Cao, Patricia Soulard, Daniel R Caffrey, Anna C Salzberg, Enoch S Huang
    posted to quantitative model affinity by jerome on 2007-01-23 23:51:58 as ** along with 4 people ucbcjbm yeastyboy willpitt higueruelo
  • Drugs in other drugs: a new look at drugs as fragments
    Drug Discovery Today, Vol. 12, No. 1-2. (January 2007), pp. 71-79.
    by Miles G Siegel, Michal Vieth
    posted to substructural_analysis reuse polypharmacology multitargets by jerome on 2007-01-23 23:50:37 as **** along with 1 person jerome_ucsf_slb
  • Multi-target therapeutics: when the whole is greater than the sum of the parts
    Drug Discovery Today, Vol. 12, No. 1-2. (January 2007), pp. 34-42.
    by Grant R Zimmermann, Joseph Lehar, Curtis T Keith
    posted to review polypharmacology multitargets by jerome on 2007-01-23 23:46:49 as **** along with 2 people jyuh schuylrp
  • Drug-target identification in Drosophila cells: combining high-throughout RNAi and small-molecule screens
    Drug Discovery Today, Vol. 12, No. 1-2. (January 2007), pp. 28-33.
    by Norbert Perrimon, Adam Friedman, Bernard Mathey-Prevot, Ulrike S Eggert
    posted to review polypharmacology multitargets by jerome on 2007-01-23 23:45:10 as **** along with 1 person jyuh
  • Chemogenomics
    (2006)
    by J Hert, P Willett, DJ Wilton
    edited by E Jacoby
    posted to personal by jerome on 2006-01-03 22:59:50 as read
  • Virtual Screening using Binary Kernal Discrimination
    (2005), pp. 119-131.
    by J Hert, P Willett, DJ Wilton
    edited by MG Hicks, C Kettner
    posted to personal by jerome on 2006-01-03 22:59:50 as read
  • New Methods for Ligand-Based Virtual Screening: Use of Data-Fusion and Machine-Learning Techniques to Enhance the Effectiveness of Similarity Searching
    Journal of Chemical Information and Modeling (2005)
    by J Hert, P Willett, DJ Wilton, P Acklin, K Azzaoui, E Jacoby, A Schuffenhauer
    posted to personal by jerome on 2006-01-03 22:59:50 as read along with 1 person and 2 groups sangeetha Bioinformatics insilicodrug
  • Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information
    Journal of Medicinal Chemistry, Vol. 48, No. 22. (2005), pp. 7049-7054.
    by J Hert, P Willett, DJ Wilton, P Acklin, K Azzaoui, E Jacoby, A Schuffenhauer
    posted to personal by jerome on 2006-01-03 22:59:50 as read
  • Ligand-based virtual screening using binary kernel discrimination
    Molecular Simulation, Vol. 31, No. 8. (2005), pp. 597-604.
    by C Beining, RF Harrison, J Hert, C Mpanhanga, P Willett, DJ Wilton
    posted to personal by jerome on 2006-01-03 22:59:50 as read along with 1 person and 2 groups sangeetha Bioinformatics insilicodrug
  • Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures
    Organic and Biomolecular Chemistry (2004), pp. 3256-3266.
    by J Hert, P Willett, DJ Wilton, P Acklin, K Azzaoui, E Jacoby, A Schuffenhauer
    posted to personal by jerome on 2006-01-03 22:59:50 as read along with 1 person and 2 groups sangeetha Bioinformatics insilicodrug
  • Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures
    Journal of Chemical Information and Computer Sciences, Vol. 44, No. 3. (2004), pp. 1177-1185.
    by J Hert, P Willett, DJ Wilton, P Acklin, K Azzaoui, E Jacoby, A Schuffenhauer
    posted to personal by jerome on 2006-01-03 22:59:50 as read along with 1 person and 2 groups sangeetha Bioinformatics insilicodrug
  • Handbook of Molecular Descriptors
    (10 October 2000)
    by Roberto Todeschini, Viviana Consonni, Raimund Mannhold, Hugo Kubinyi, Hendrik Timmerman
    posted to descriptor by jerome on 2005-10-13 21:40:30 as read along with 1 person sschurer
  • Integration of virtual and high-throughput screening.
    Nat Rev Drug Discov, Vol. 1, No. 11. (November 2002), pp. 882-894.
    by J Bajorath
    posted to ligand_based_virtual_screening similarity_general by jerome on 2005-08-06 10:46:15 as read along with 4 people and 2 groups BragilMassoud sangeetha grimbart sithmein Bioinformatics insilicodrug
  • Definition and Role of Similarity Concepts in the Chemical and Physical Sciences
    Journal of Chemical Information and Computer Sciences, Vol. 32, No. 6. (1992), pp. 580-586.
    by DH Rouvray
    posted to history similarity_general by jerome on 2005-08-05 18:02:48 as read
  • Similarity Studies .1. The Necessity for Analogies in the Development of Science
    Journal of Chemical Information and Computer Sciences, Vol. 34, No. 2. (1994), pp. 446-452.
    by DH Rouvray
    posted to history similarity_general by jerome on 2005-08-05 17:59:15 as read
  • Sensor and Data Fusion Concepts and Applications (Tutorial Texts in Optical Engineering, Vol Tt14)
    (01 August 1993)
    by Lawrence A Klein
    posted to data_fusion by jerome on 2005-07-07 23:23:24 as read
  • Pharmacophore Perception, Development, and Use in Drug Design (Iul Biotechnology Series)
    (01 February 2000)
    by Osman F Guner
    posted to pharmacophores by jerome on 2005-07-05 17:52:59 as read
  • Application of machine learning to improve the results of high-throughput docking against the HIV-1 protease.
    J Chem Inf Comput Sci, Vol. 44, No. 6. (c 2004), pp. 2216-2224.
    by AE Klon, M Glick, JW Davies
    posted to bayesian_learning by jerome on 2005-06-16 17:54:21 as read along with 1 person sithmein
  • Making large-scale support vector machine learning practical
    (1998)
    by T Joachims
    edited by CB Schölkopf
    posted to svm by jerome on 2005-06-14 10:20:09 as read along with 4 people chad_davis gkvas lp2 teesid
  • Chemical Similarity Using Physiochemical Property Descriptors.
    Journal of Chemical Information and Computer Sciences, Vol. 36, No. 1. (1996), pp. 118-127.
    by Simon K Kearsley, Susan Sallamack, Eugene M Fluder, Joseph D Andose, Ralph T Mosley, Robert P Sheridan
    posted to data_fusion fingerprint kearsley_simon sheridan_robert by jerome on 2005-06-02 16:07:39 as read
  • Combination of fingerprint-based similarity coefficients using data fusion.
    J Chem Inf Comput Sci, Vol. 43, No. 2. (r 2003), pp. 435-442.
    by N Salim, J Holliday, P Willett
    posted to data_fusion fingerprint willett_peter by jerome on 2005-06-02 15:42:52 as read
  • Combination of molecular similarity measures using data fusion
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (January 2000), pp. 1-16.
    by Claire M Ginn, Peter Willett, John Bradshaw
    posted to data_fusion fingerprint willett_peter by jerome on 2005-06-02 15:40:40 as read
  • RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs
    The Computer Journal, Vol. 45, No. 6. (2002), pp. 631-644.
    by JW Raymond, J Gardiner, P Willett
    posted to mcs raymond_john willett_peter by jerome on 2005-06-01 16:32:49 as read
  • Heuristics for similarity searching of chemical graphs using a maximum common edge subgraph algorithm.
    J Chem Inf Comput Sci, Vol. 42, No. 2. (r 2002), pp. 305-316.
    by JW Raymond, EJ Gardiner, P Willett
    posted to mcs raymond_john willett_peter by jerome on 2005-06-01 16:24:03 as read along with 1 person nachtalp
  • "Lead hopping". Validation of topomer similarity as a superior predictor of similar biological activities.
    J Med Chem, Vol. 47, No. 27. (30 December 2004), pp. 6777-6791.
    by RD Cramer, RJ Jilek, S Guessregen, SJ Clark, B Wendt, RD Clark
    posted to scaffold_hopping by jerome on 2005-06-01 13:10:57 as read
  • Algorithm for naming molecular equivalence classes represented by labeled pseudographs.
    J Chem Inf Comput Sci, Vol. 41, No. 1. (b 2001), pp. 181-185.
    by Y Xu, M Johnson
    posted to chemotypes_definition scaffold_hopping by jerome on 2005-05-31 17:13:59 as read
  • Using molecular equivalence numbers to visually explore structural features that distinguish chemical libraries.
    J Chem Inf Comput Sci, Vol. 42, No. 4. (g 2002), pp. 912-926.
    by YJ Xu, M Johnson
    posted to chemotypes_definition scaffold_hopping by jerome on 2005-05-31 17:12:04 as read
  • The properties of known drugs. 1. Molecular frameworks.
    J Med Chem, Vol. 39, No. 15. (19 July 1996), pp. 2887-2893.
    by GW Bemis, MA Murcko
    posted to chemotypes_definition scaffold_hopping by jerome on 2005-05-31 13:44:41 as read along with 1 person jerome_ucsf_slb
  • Data shaving: a focused screening approach.
    J Chem Inf Comput Sci, Vol. 44, No. 2. (r 2004), pp. 470-479.
    by SK Schreyer, CN Parker, GM Maggiora
    posted to auto_definition_chemotypes ligand_based_virtual_screening similarity_general by jerome on 2005-05-26 16:41:17 as read
  • Similarity searching in files of three-dimensional chemical structures: analysis of the BIOSTER database using two-dimensional fingerprints and molecular field descriptors
    J Chem Inf Comput Sci, Vol. 40, No. 2. (March 2000), pp. 295-307.
    by A Schuffenhauer, VJ Gillet, P Willett
    posted to schuffenhauer_ansgar willett_peter by jerome on 2005-05-26 11:53:26 as read along with 1 person and 2 groups sangeetha Bioinformatics insilicodrug
  • Why do we need so many chemical similarity search methods?
    Drug Discov Today, Vol. 7, No. 17. (1 September 2002), pp. 903-911.
    by RP Sheridan, SK Kearsley
    posted to ligand_based_virtual_screening similarity_general by jerome on 2005-05-26 11:35:51 as read
  • Measuring CAMD technique performance: a virtual screening case study in the design of validation experiments.
    J Comput Aided Mol Des, Vol. 18, No. 7-9. (p 2004), pp. 529-536.
    by AC Good, MA Hermsmeier, SA Hindle
    posted to scaffold_hopping by jerome on 2005-05-25 16:47:31 as read
  • Descriptors you can count on? Normalized and filtered pharmacophore descriptors for virtual screening.
    J Comput Aided Mol Des, Vol. 18, No. 7-9. (p 2004), pp. 523-527.
    by AC Good, SJ Cho, JS Mason
    posted to descriptor scaffold_hopping by jerome on 2005-05-25 16:46:57 as read along with 1 person and 2 groups sangeetha Bioinformatics insilicodrug
  • A 3D similarity method for scaffold hopping from known drugs or natural ligands to new chemotypes.
    J Med Chem, Vol. 47, No. 25. (2 December 2004), pp. 6144-6159.
    by JL Jenkins, M Glick, JW Davies
    posted to descriptor scaffold_hopping by jerome on 2005-05-25 16:36:05 as read along with 2 people and 2 groups ucbcjbm sangeetha Bioinformatics insilicodrug
  • Relevance weighting of search terms
    Journal of the American Society for Information Science, Vol. 27, No. 3. (1976), pp. 129-146.
    by S Robertson, K Sparck-Jones
    posted to bayesian_learning information_retrieval substructural_analysis by jerome on 2005-04-28 11:19:37 as read along with 1 person ShengliangXu
  • Enhancing the effectiveness of virtual screening by fusing nearest neighbor lists: a comparison of similarity coefficients.
    J Chem Inf Comput Sci, Vol. 44, No. 5. (t 2004), pp. 1840-1848.
    by M Whittle, VJ Gillet, P Willett, A Alex, J Loesel
    posted to data_fusion ligand_based_virtual_screening by jerome on 2005-04-26 14:43:25 as read along with 1 person nachtalp
  • Similarity and Clustering in Chemical Information Systems
    (01 April 1987)
    by Peter Willett
    posted to similarity_general by jerome on 2005-04-26 14:30:25 as read along with 1 person tullachBui
  • Molecular Similarity in Drug Design
    (31 December 1994)
    by PM Dean
    edited by PM Dean
    posted to similarity_general by jerome on 2005-04-26 14:16:06 as read along with 1 person tullachBui
  • Approaches to Measure Chemical Similarity - a Review
    QSAR & Combinatorial Science, Vol. 22, No. 9-10. (23 January 2003), pp. 1006-1026.
    by Nina Nikolova, Joanna Jaworska
    posted to similarity_general by jerome on 2005-04-18 13:46:23 as read along with 4 people and 1 group okarsligil tullachBui fanizzi elvinado Bioinformatics
  • 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 similarity_general willett_peter by jerome on 2005-04-18 12:57:36 as read along with 1 person kuhn
  • Chemoinformatics - similarity and diversity in chemical libraries.
    Curr Opin Biotechnol, Vol. 11, No. 1. (February 2000), pp. 85-88.
    by P Willett
    posted to similarity_general willett_peter by jerome on 2005-04-18 12:28:04 as read
  • Similarity-based approaches to virtual screening.
    Biochem Soc Trans, Vol. 31, No. Pt 3. (June 2003), pp. 603-606.
    by P Willett
    posted to similarity_general willett_peter by jerome on 2005-04-18 12:14:25 as read along with 1 person kuhn
    • NB: Du kan sitere denne siden som: http://www.citeulike.org/user/jerome

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