메뉴 건너뛰기




Volumn 18, Issue 3, 2015, Pages 323-330

Comparing global and local likelihood score thresholds in multiclass Laplacian-modified Naïve bayes protein target prediction

Author keywords

Cheminformatics; In silico bioactivity prediction; Likelihood score thresholds

Indexed keywords

CYTOCHROME; G PROTEIN COUPLED RECEPTOR; PROTEIN; PROTEIN KINASE; TRANSCRIPTION FACTOR; LIGAND; MOLECULAR LIBRARY;

EID: 84931260960     PISSN: 13862073     EISSN: 18755402     Source Type: Journal    
DOI: 10.2174/1386207318666150305145012     Document Type: Article
Times cited : (9)

References (41)
  • 1
    • 78650853329 scopus 로고    scopus 로고
    • The chemical basis of pharmacology
    • Keiser, M. J., Irwin, J. J. & Shoichet, B. K. The chemical basis of pharmacology. Biochemistry, 2010, 49, 10267-10276.
    • (2010) Biochemistry , vol.49 , pp. 10267-10276
    • Keiser, M.J.1    Irwin, J.J.2    Shoichet, B.K.3
  • 4
    • 79961000103 scopus 로고    scopus 로고
    • The role of computational methods in the identification of bioactive compounds
    • Glick, M. Jacoby, E. The role of computational methods in the identification of bioactive compounds. Curr. Opin. Chem. Biol.,2011, 15, 540-546.
    • (2011) Curr. Opin. Chem. Biol. , vol.15 , pp. 540-546
    • Glick, M.1    Jacoby, E.2
  • 5
    • 84894539238 scopus 로고    scopus 로고
    • Extensions to in silico bioactivity predictions using pathway annotations and differential pharmacology analysis: Application to xenopus laevis phenotypic readouts
    • Liggi, S.; Drakakis, G.; Hendry, A.E.; Hanson, K.M.; Brewerton, S.C.; Wheeler, G.N.; Bodkin, M.J.; Evans, D.A.; Bender. A. Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts. Mol. Inf., 2013, 32, 1009-1024.
    • (2013) Mol. Inf. , vol.32 , pp. 1009-1024
    • Liggi, S.1    Drakakis, G.2    Hendry, A.E.3    Hanson, K.M.4    Brewerton, S.C.5    Wheeler, G.N.6    Bodkin, M.J.7    Evans, D.A.8    Bender, A.9
  • 11
    • 84883239935 scopus 로고    scopus 로고
    • In silico target predictions: Defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window
    • Koutsoukas, A.; Lowe, R.; Kalantarmotamedi, Y.; Mussa, H.Y.; Klaffke, W.; Mitchell, J.B.; Glen, R.C.; Bender A. In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window. J. Chem. Inf. Model., 2013, 53, 1957-1966.
    • (2013) J. Chem. Inf. Model. , vol.53 , pp. 1957-1966
    • Koutsoukas, A.1    Lowe, R.2    Kalantarmotamedi, Y.3    Mussa, H.Y.4    Klaffke, W.5    Mitchell, J.B.6    Glen, R.C.7    Bender, A.8
  • 13
    • 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, 1124-1133.
    • (2006) J. Chem. Inf. Model. , vol.46 , pp. 1124-1133
    • Nidhi Glick, M.1    Davies, J.W.2    Jenkins, J.L.3
  • 14
    • 58149116805 scopus 로고    scopus 로고
    • Ligandtarget prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics
    • Nigsch, F.; Bender, A.; Jenkins, J. L.; Mitchell, J. B. O. Ligandtarget prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics. J. Chem. Inf. Model., 2008, 48, 2313-2325.
    • (2008) J. Chem. Inf. Model. , vol.48 , pp. 2313-2325
    • Nigsch, F.1    Bender, A.2    Jenkins, J.L.3    Mitchell, J.B.O.4
  • 15
    • 0034320172 scopus 로고    scopus 로고
    • Robustness of biological activity spectra predicting by computer program PASS for noncongeneric sets of chemical compounds
    • Poroikov, V.; Filimonov, D.; Borodina, Y. V.; Lagunin, A.; Kos, A. Robustness of biological activity spectra predicting by computer program PASS for noncongeneric sets of chemical compounds. J. Chem. Inf. Comp. Sci., 2000, 40, 1349-1355.
    • (2000) J. Chem. Inf. Comp. Sci. , vol.40 , pp. 1349-1355
    • Poroikov, V.1    Filimonov, D.2    Borodina, Y.V.3    Lagunin, A.4    Kos, A.5
  • 16
    • 79958814927 scopus 로고    scopus 로고
    • QSAR modelling of rat acute toxicity on the basis of pass prediction
    • Lagunin, A.; Zakharov, A.; Filimonov, D. Poroikov, V. QSAR modelling of rat acute toxicity on the basis of pass prediction. Mol. Inf., 2011, 30, 241-250.
    • (2011) Mol. Inf. , vol.30 , pp. 241-250
    • Lagunin, A.1    Zakharov, A.2    Filimonov, D.3    Poroikov, V.4
  • 17
    • 0035913046 scopus 로고    scopus 로고
    • Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS)
    • Anzali, S.; Barnickel, G.; Cezanne, B.; Krug, M.; Filimonov, D.; Poroikov, V. Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS). J. Med. Chem., 2001, 44, 2432-2437.
    • (2001) J. Med. Chem. , vol.44 , pp. 2432-2437
    • Anzali, S.1    Barnickel, G.2    Cezanne, B.3    Krug, M.4    Filimonov, D.5    Poroikov, V.6
  • 18
    • 0013106055 scopus 로고    scopus 로고
    • Computer-aided prediction of biological activity spectra. Application for finding and optimization of new leads
    • Holtje, H., Sippl, W., Eds., Prous Science, Barcelona, Spain
    • Poroikov, V.; Filimonov, D. Computer-aided prediction of biological activity spectra. Application for finding and optimization of new leads. In: Rational Approaches to Drug Design, Holtje, H., Sippl, W., Eds., Prous Science, Barcelona, Spain, 2001, pp.403-407.
    • (2001) Rational Approaches to Drug Design , pp. 403-407
    • Poroikov, V.1    Filimonov, D.2
  • 19
    • 33244482848 scopus 로고    scopus 로고
    • Enrichment of high-throughput screening data with increasing levels of noise using support vector machines, recursive partitioning, and laplacian-modified naive bayesian classifiers
    • Glick, M.; Jenkins, J. L.; Nettles, J. H.; Hitchings, H.; Davies, J. W. Enrichment of high-throughput screening data with increasing levels of noise using support vector machines, recursive partitioning, and laplacian-modified naive bayesian classifiers. J. Chem. Inf. Model., 2006, 46, 193-200.
    • (2006) J. Chem. Inf. Model. , vol.46 , pp. 193-200
    • Glick, M.1    Jenkins, J.L.2    Nettles, J.H.3    Hitchings, H.4    Davies, J.W.5
  • 20
    • 34247386376 scopus 로고    scopus 로고
    • Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds
    • Cannon, E.O.; Amini, A.; Bender, A.; Sternberg, M.J.; Muggleton, S.H.; Glen, R.C.; Mitchell, J.B. Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds. J. Comput. Aided Mol. Des., 2007, 21, 269-280.
    • (2007) J. Comput. Aided Mol. Des. , vol.21 , pp. 269-280
    • Cannon, E.O.1    Amini, A.2    Bender, A.3    Sternberg, M.J.4    Muggleton, S.H.5    Glen, R.C.6    Mitchell, J.B.7
  • 23
    • 34548319111 scopus 로고    scopus 로고
    • In silico pharmacology for drug discovery: Applications to targets and beyond
    • Ekins, S.; Mestres, J.; Testa, B. In silico pharmacology for drug discovery: applications to targets and beyond. Br. J. Pharmacol., 2007, 152, 21-37.
    • (2007) Br. J. Pharmacol. , vol.152 , pp. 21-37
    • Ekins, S.1    Mestres, J.2    Testa, B.3
  • 25
    • 79958775318 scopus 로고    scopus 로고
    • Development and comparison of herg blocker classifiers: Assessment on different datasets yields markedly different results
    • Marchese Robinson, R. L.; Glen, R. C.; Mitchell, J. B. O. Development and comparison of herg blocker classifiers: assessment on different datasets yields markedly different results. Mol. Inf., 2011, 30, 443-458.
    • (2011) Mol. Inf. , vol.30 , pp. 443-458
    • Marchese Robinson, R.L.1    Glen, R.C.2    Mitchell, J.B.O.3
  • 26
    • 77952772341 scopus 로고    scopus 로고
    • Extended-connectivity fingerprints
    • Rogers, D.; Hahn, M. Extended-connectivity fingerprints. J. Chem. Inf. Model., 2010, 50, 742-754.
    • (2010) J. Chem. Inf. Model. , vol.50 , pp. 742-754
    • Rogers, D.1    Hahn, M.2
  • 27
    • 84875462770 scopus 로고    scopus 로고
    • Chemogenomics approaches to rationalizing the mode-of-action of traditional chinese and ayurvedic medicines
    • Mohd Fauzi, F.; Koutsoukas, A.; Lowe, R.; Joshi, K.; Fan, T.P.; Glen, R.C.; Bender, A. Chemogenomics approaches to rationalizing the mode-of-action of traditional chinese and ayurvedic medicines. J. Chem. Inf. Model., 2013, 53, 661-673.
    • (2013) J. Chem. Inf. Model. , vol.53 , pp. 661-673
    • Mohd Fauzi, F.1    Koutsoukas, A.2    Lowe, R.3    Joshi, K.4    Fan, T.P.5    Glen, R.C.6    Bender, A.7
  • 28
  • 29
    • 84894539238 scopus 로고    scopus 로고
    • Extensions to in silico bioactivity predictions using pathway annotations and differential pharmacology analysis: Application to xenopus laevis phenotypic readouts
    • Liggi, S.; Drakakis, G.; Hendry, A.E.; Hanson, K.M.; Brewerton, S.C.; Wheeler, G.N.; Bodkin, M.J.; Evans, D.A.; Bender, A. Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts. Mol. Inf., 2013, 32, 1009-1024.
    • (2013) Mol. Inf. , vol.32 , pp. 1009-1024
    • Liggi, S.1    Drakakis, G.2    Hendry, A.E.3    Hanson, K.M.4    Brewerton, S.C.5    Wheeler, G.N.6    Bodkin, M.J.7    Evans, D.A.8    Bender, A.9
  • 31
    • 84883239935 scopus 로고    scopus 로고
    • In silico target predictions: Defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window
    • Koutsoukas, A.; Lowe, R.; Kalantarmotamedi, Y.; Mussa, H.Y.; Klaffke, W.; Mitchell, J.B.; Glen RC.; Bender, A. In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window. J. Chem. Inf. Model.,2013, 53(8), 1957-1966.
    • (2013) J. Chem. Inf. Model. , vol.53 , Issue.8 , pp. 1957-1966
    • Koutsoukas, A.1    Lowe, R.2    Kalantarmotamedi, Y.3    Mussa, H.Y.4    Klaffke, W.5    Mitchell, J.B.6    Glen, R.C.7    Bender, A.8
  • 35
    • 84931276171 scopus 로고    scopus 로고
    • accessed 15/12/2013
    • at 〈http://www.chemaxon.com〉 (accessed 15/12/2013)
  • 38
    • 5544290537 scopus 로고    scopus 로고
    • Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): Evaluation of performance
    • Bender, A.; Mussa, H. Y.; Glen, R. C.; Reiling, S. Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): evaluation of performance. J. Chem. Inf. Comp. Sci., 2004, 44, 1708-1718.
    • (2004) J. Chem. Inf. Comp. Sci. , vol.44 , pp. 1708-1718
    • Bender, A.1    Mussa, H.Y.2    Glen, R.C.3    Reiling, S.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.