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Volumn , Issue , 2011, Pages 25-56

Bridging Chemical and Biological Data: Implications for Pharmaceutical Drug Discovery

Author keywords

Biocuration in biomedical research; Chemogenomics knowledge, lead finding; Pharmaceutical drugs, integrated data

Indexed keywords


EID: 84886000909     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9781118131411.ch2     Document Type: Chapter
Times cited : (3)

References (52)
  • 1
    • 0037495765 scopus 로고
    • Drowning in information, but thirsty for knowledge
    • Koniger, P.; Janowitz, K. Drowning in information, but thirsty for knowledge. Int. J. Inf. Manage. 1995, 15, 5-16.
    • (1995) Int. J. Inf. Manage. , vol.15 , pp. 5-16
    • Koniger, P.1    Janowitz, K.2
  • 3
    • 0004014263 scopus 로고    scopus 로고
    • Evolution: The Triumph of an Idea. Harper Perennial
    • New York
    • Zimmer, C. Evolution: The Triumph of an Idea. Harper Perennial, New York, 2002.
    • (2002)
    • Zimmer, C.1
  • 4
    • 17844370543 scopus 로고    scopus 로고
    • Advances in knowledge management for pharmaceutical research and development
    • Torr-Brown, S. Advances in knowledge management for pharmaceutical research and development. Curr. Opin. Drug Discov. Dev. 2005, 8(3), 316-322.
    • (2005) Curr. Opin. Drug Discov. Dev. , vol.8 , Issue.3 , pp. 316-322
    • Torr-Brown, S.1
  • 5
    • 33749662564 scopus 로고    scopus 로고
    • Can science be a business? Lessons from Biotech
    • Harvard Bus. Rev. 2006, Oct.
    • Pisano, G. P. Can science be a business? Lessons from Biotech. Harvard Bus. Rev. 2006, Oct.
    • Pisano, G.P.1
  • 6
    • 84886066743 scopus 로고    scopus 로고
    • Climbing the Data Federation Pyramid
    • [internet blog]
    • Bergman, M. K. Climbing the Data Federation Pyramid. http://www .mkbergman.com [internet blog], 2006, p. 229.
    • (2006) , pp. 229
    • Bergman, M.K.1
  • 8
    • 40049100210 scopus 로고    scopus 로고
    • Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure
    • Bender, A.; Scheiber, J.; Glick, M.; Davies, J. W.; Azzaoui, K.; Hamon, J.; Urban, L.; Whitebread, S.; Jenkins, J. L. Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure. ChemMedChem. 2007, 2(6), 861-873.
    • (2007) ChemMedChem. , vol.2 , Issue.6 , pp. 861-873
    • Bender, A.1    Scheiber, J.2    Glick, M.3    Davies, J.W.4    Azzaoui, K.5    Hamon, J.6    Urban, L.7    Whitebread, S.8    Jenkins, J.L.9
  • 10
    • 0037032835 scopus 로고    scopus 로고
    • The protein kinase complement of the human genome
    • Manning, G.; Whyte, D. B.; Martinez, R.; Hunter, T.; Sudarsanam, S. The protein kinase complement of the human genome. Science 2002, 298(5600), 1912-1934.
    • (2002) Science , vol.298 , Issue.5600 , pp. 1912-1934
    • Manning, G.1    Whyte, D.B.2    Martinez, R.3    Hunter, T.4    Sudarsanam, S.5
  • 11
    • 0003410183 scopus 로고
    • Enzyme Nomenclature: Recommendations of the Nomenclature Committee of the International Union of Biochemistry and Molecular Biology on the Nomenclature and Classification of Enzymes
    • Academic Press, New York
    • Webb, E. C. Enzyme Nomenclature: Recommendations of the Nomenclature Committee of the International Union of Biochemistry and Molecular Biology on the Nomenclature and Classification of Enzymes. Academic Press, New York, 1992.
    • (1992)
    • Webb, E.C.1
  • 13
    • 33748040760 scopus 로고    scopus 로고
    • National Center for Biomedical Ontology: advancing biomedicine through structured organization of scientific knowledge
    • Rubin, D. L.; Lewis, S. E.; Mungall, C. J.; Misra, S.; Westerfield, M.; Ashburner, M.; Sim, I.; Chute, C. G.; Solbrig, H.; Storey, M. A.; et al. National Center for Biomedical Ontology: advancing biomedicine through structured organization of scientific knowledge. OMICS 2006, 10(2), 185-198.
    • (2006) OMICS , vol.10 , Issue.2 , pp. 185-198
    • Rubin, D.L.1    Lewis, S.E.2    Mungall, C.J.3    Misra, S.4    Westerfield, M.5    Ashburner, M.6    Sim, I.7    Chute, C.G.8    Solbrig, H.9    Storey, M.A.10
  • 15
    • 22044451327 scopus 로고    scopus 로고
    • Ontologies and semantic data integration
    • Gardner, S. P. Ontologies and semantic data integration. Drug Discov. Today 2005, 10(14), 1001-1007.
    • (2005) Drug Discov. Today , vol.10 , Issue.14 , pp. 1001-1007
    • Gardner, S.P.1
  • 18
    • 42449146190 scopus 로고    scopus 로고
    • Public chemical compound databases
    • Williams, A. J. Public chemical compound databases. Curr. Opin. Drug Discov. Dev. 2008, 11(3), 393-404.
    • (2008) Curr. Opin. Drug Discov. Dev. , vol.11 , Issue.3 , pp. 393-404
    • Williams, A.J.1
  • 19
    • 44649178588 scopus 로고    scopus 로고
    • Internet-based tools for communication and collaboration in chemistry
    • Williams, A. J. Internet-based tools for communication and collaboration in chemistry. Drug Discov. Today 2008, 13(11-12), 502-506.
    • (2008) Drug Discov. Today , vol.13 , Issue.11-12 , pp. 502-506
    • Williams, A.J.1
  • 21
    • 84886027767 scopus 로고    scopus 로고
    • http://www.cbi.or.jp/cbi/DigtalTL/Bioinfo_Universities.html. 2008.
    • (2008)
  • 22
    • 44249108095 scopus 로고    scopus 로고
    • Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assays
    • Guha, R.; Schurer, S. C. Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assays. J. Comput. Aided Mol. Des. 2008, 22(6-7), 367-384.
    • (2008) J. Comput. Aided Mol. Des. , vol.22 , Issue.6-7 , pp. 367-384
    • Guha, R.1    Schurer, S.C.2
  • 23
    • 84885967129 scopus 로고    scopus 로고
    • http://en.wikipedia.org/wiki/Knowledgebase. 2008.
    • (2008)
  • 24
    • 0023965741 scopus 로고
    • SMILES, a chemical language and information system: 1.Introduction to methodology and encoding rules
    • Weininger, D. SMILES, a chemical language and information system: 1. Introduction to methodology and encoding rules. J. Chem. Inf. Comput. Sci . 1988, 28, 31-36.
    • (1988) J. Chem. Inf. Comput. Sci , vol.28 , pp. 31-36
    • Weininger, D.1
  • 25
    • 33846518797 scopus 로고    scopus 로고
    • In silico target fishing: predicting biological targets from chemical structure
    • Jenkins, J. L.; Bender, A.; Davies, J. W. In silico target fishing: predicting biological targets from chemical structure. Drug Discov. Today: Technol. 2008, 3, 413-421.
    • (2008) Drug Discov. Today: Technol. , vol.3 , pp. 413-421
    • Jenkins, J.L.1    Bender, A.2    Davies, J.W.3
  • 26
    • 26944445752 scopus 로고    scopus 로고
    • Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naive Bayesian classifier: limitations of the descriptor and the importance of balanced chemistry in training and test sets
    • Bender, A.; Mussa, H. Y.; Glen, R. C. Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naive Bayesian classifier: limitations of the descriptor and the importance of balanced chemistry in training and test sets. J. Biomol. Screen. 2005, 10(7), 658-666.
    • (2005) J. Biomol. Screen. , vol.10 , Issue.7 , pp. 658-666
    • Bender, A.1    Mussa, H.Y.2    Glen, R.C.3
  • 27
    • 0029894013 scopus 로고    scopus 로고
    • The properties of known drugs: 1. Molecular frameworks
    • Bemis, G. W.; Murcko, M. A. The properties of known drugs: 1. Molecular frameworks. J. Med. Chem. 1999, 39, 2887-2893.
    • (1999) J. Med. Chem. , vol.39 , pp. 2887-2893
    • Bemis, G.W.1    Murcko, M.A.2
  • 31
    • 33745391215 scopus 로고    scopus 로고
    • Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases
    • Nidhi; Glick, M.; Davies, J. W.; Jenkins, J. L. Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases. J. Chem. Inf. Model. 2006, 46(3), 1124-1133.
    • (2006) J. Chem. Inf. Model. , vol.46 , Issue.3 , pp. 1124-1133
    • Nidhi1    Glick, M.2    Davies, J.W.3    Jenkins, J.L.4
  • 35
    • 84886012831 scopus 로고    scopus 로고
    • Working out the flow. Bio-IT World, September 18, 2006. Cambridge Healthtech Institute, Needham, MA USA
    • May, M. Working out the flow. Bio-IT World, September 18, 2006. Cambridge Healthtech Institute, Needham, MA USA.
    • May, M.1
  • 36
    • 35448939250 scopus 로고    scopus 로고
    • Complementarity between public and commercial databases: new opportunities in medicinal chemistry informatics
    • Southan, C.; Varkonyi, P.; Muresan, S. Complementarity between public and commercial databases: new opportunities in medicinal chemistry informatics. Curr. Top. Med. Chem. 2007, 7(15), 1502-1508.
    • (2007) Curr. Top. Med. Chem. , vol.7 , Issue.15 , pp. 1502-1508
    • Southan, C.1    Varkonyi, P.2    Muresan, S.3
  • 37
    • 42949088496 scopus 로고    scopus 로고
    • Chemical fragments as foundations for understanding target space and activity prediction
    • Sutherland, J. J.; Higgs, R. E.; Watson, I.; Vieth, M. Chemical fragments as foundations for understanding target space and activity prediction. J. Med. Chem. 2008, 51(9), 2689-2700.
    • (2008) J. Med. Chem. , vol.51 , Issue.9 , pp. 2689-2700
    • Sutherland, J.J.1    Higgs, R.E.2    Watson, I.3    Vieth, M.4
  • 42
    • 5344259671 scopus 로고    scopus 로고
    • Web-based cheminformatics tools deployed via corporate intranets
    • Ertl, P.; Seltzer, P.; Muhlbacher, J. Web-based cheminformatics tools deployed via corporate intranets. Drug Discov. Today: Biosilico 2004, 2(5), 201-207.
    • (2004) Drug Discov. Today: Biosilico , vol.2 , Issue.5 , pp. 201-207
    • Ertl, P.1    Seltzer, P.2    Muhlbacher, J.3
  • 43
    • 12144262660 scopus 로고    scopus 로고
    • Data integration: challenges for drug discovery
    • Searls, D. B. Data integration: challenges for drug discovery. Nat. Rev. Drug Discov. 2005, 4(1), 45-58.
    • (2005) Nat. Rev. Drug Discov. , vol.4 , Issue.1 , pp. 45-58
    • Searls, D.B.1
  • 44
    • 0038270775 scopus 로고    scopus 로고
    • Chemogenomics knowledgebased strategies in drug discovery
    • Jacoby, E.; Schuffenhauer, A.; Floersheim, P. Chemogenomics knowledgebased strategies in drug discovery. Drug News Perspect. 2003, 16(2), 93-102.
    • (2003) Drug News Perspect. , vol.16 , Issue.2 , pp. 93-102
    • Jacoby, E.1    Schuffenhauer, A.2    Floersheim, P.3
  • 45
    • 0003641826 scopus 로고
    • Concepts and Applications of Molecular Similarity
    • Wiley, New York
    • Maggiora, G. M.; Johnson, M. A. Concepts and Applications of Molecular Similarity. Wiley, New York, 1990.
    • (1990)
    • Maggiora, G.M.1    Johnson, M.A.2
  • 46
    • 41149096945 scopus 로고    scopus 로고
    • Largescale prediction of drug-target relationships
    • Kuhn, M.; Campillos, M.; Gonzalez, P.; Jensen, L. J.; Bork, P. Largescale prediction of drug-target relationships. FEBS Lett. 2008, 582(8), 1283-1290.
    • (2008) FEBS Lett. , vol.582 , Issue.8 , pp. 1283-1290
    • Kuhn, M.1    Campillos, M.2    Gonzalez, P.3    Jensen, L.J.4    Bork, P.5
  • 47
    • 0038170311 scopus 로고    scopus 로고
    • Similarity metrics for ligands reflecting the similarity of the target proteins
    • Schuffenhauer, A.; Floersheim, P.; Acklin, P.; Jacoby, E. Similarity metrics for ligands reflecting the similarity of the target proteins. J. Chem. Inf. Comput. Sci . 2003, 43(2), 391-405.
    • (2003) J. Chem. Inf. Comput. Sci , vol.43 , Issue.2 , pp. 391-405
    • Schuffenhauer, A.1    Floersheim, P.2    Acklin, P.3    Jacoby, E.4
  • 48
    • 0004149217 scopus 로고    scopus 로고
    • Developmental Plasticity and Evolution
    • Oxford University Press, New York
    • West-Eberhard, M. Developmental Plasticity and Evolution. Oxford University Press, New York, 2006.
    • (2006)
    • West-Eberhard, M.1
  • 50
    • 84885980354 scopus 로고    scopus 로고
    • http://www.ncgc.nih.gov/guidance/manual_toc. html. 2008.
    • (2008)
  • 51
    • 34249075559 scopus 로고    scopus 로고
    • Wikinomics: How Mass Collaboration Changes Everything
    • Portfolio, New York
    • Tapscott, D.; Williams, A. D. Wikinomics: How Mass Collaboration Changes Everything. Portfolio, New York, 2006.
    • (2006)
    • Tapscott, D.1    Williams, A.D.2
  • 52
    • 51349168137 scopus 로고    scopus 로고
    • Big data: Wikiomics
    • Waldrop, M. Big data: Wikiomics. Nature 2008, 455(7209), 22-25.
    • (2008) Nature , vol.455 , Issue.7209 , pp. 22-25
    • Waldrop, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.