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Volumn 3, Issue 1, 2011, Pages

Use of structure-activity landscape index curves and curve integrals to evaluate the performance of multiple machine learning prediction models

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EID: 79952171024     PISSN: None     EISSN: 17582946     Source Type: Journal    
DOI: 10.1186/1758-2946-3-7     Document Type: Article
Times cited : (7)

References (16)
  • 1
    • 38549117345 scopus 로고    scopus 로고
    • Computer-aided drug discovery and development (CADDD): In silico-chemico-biological approach
    • DOI 10.1016/j.cbi.2006.12.006, PII S0009279706003541
    • Computer-aided drug discovery and development (CADDD): in silico-chemical-biological approach. IM Kapetanovic, Chem. Biol. Interact 2008 171 2 165 (Pubitemid 351146652)
    • (2008) Chemico-Biological Interactions , vol.171 , Issue.2 , pp. 165-176
    • Kapetanovic, I.M.1
  • 2
    • 33344458868 scopus 로고    scopus 로고
    • In Silico tools streamline drug design
    • In Silico tools streamline drug design. G Dutton, GEN 2006 26 4
    • (2006) GEN , vol.26 , pp. 4
    • Dutton, G.1
  • 3
    • 33748545599 scopus 로고    scopus 로고
    • Recent advances in computational prediction of drug absorption and permeability in drug discovery
    • DOI 10.2174/092986706778201558
    • Recent advances in computational prediciton of drug absorption and permeability in drug discovery. T Hou J Want W Zhang W Wang X Xu, Curr. Med. Chem 2006 13 2653 2667 10.2174/092986706778201558 17017917 (Pubitemid 44364143)
    • (2006) Current Medicinal Chemistry , vol.13 , Issue.22 , pp. 2653-2667
    • Hou, T.1    Wang, J.2    Zhang, W.3    Wang, W.4    Xu, X.5
  • 4
    • 0037364162 scopus 로고    scopus 로고
    • ADMET in silico modelling: Towards prediction paradise?
    • DOI 10.1038/nrd1032
    • ADMET in silico modeling: Towards prediction paradise? H Van de Waterbeemd E Gifford, Nature Reviews 2003 2 192 204 10.1038/nrd1032 12612645 (Pubitemid 37361664)
    • (2003) Nature Reviews Drug Discovery , vol.2 , Issue.3 , pp. 192-204
    • Van De Waterbeemd, H.1    Gifford, E.2
  • 7
    • 13244277456 scopus 로고    scopus 로고
    • In silico prediction of drug safety: Despite progress there is abundant room for improvement
    • DOI 10.1016/j.ddtec.2004.11.002, PII S1740674904000502
    • In silico prediction of drug safety: Despite progress there is abundant room for improvement. WJ Egan G Zlokarnik PDJ Grootenhuis, Drug Disc. Today: Tech 2004 1 381 387 10.1016/j.ddtec.2004.11.002 (Pubitemid 40186341)
    • (2004) Drug Discovery Today: Technologies , vol.1 , Issue.4 , pp. 381-387
    • Egan, W.J.1    Zlokarnik, G.2    Grootenhuis, P.D.J.3
  • 8
    • 52049114159 scopus 로고    scopus 로고
    • Assessing how well a modeling protocol captures a Structure-Activity Landscape
    • 10.1021/ci8001414. 18686944
    • Assessing how well a modeling protocol captures a Structure-Activity Landscape. R Guha JH Van Drie, J Chem Inf Model 2008 48 1716 1728 10.1021/ci8001414 18686944
    • (2008) J Chem Inf Model , vol.48 , pp. 1716-1728
    • Guha, R.1    Van Drie, J.H.2
  • 9
    • 42149090634 scopus 로고    scopus 로고
    • Structure - Activity landscape index: Identifying and quantifying activity cliffs
    • DOI 10.1021/ci7004093
    • The Structure-Activity Landscape Index: Indentifying and quantifying activity cliffs. R Guha J Van Drie, J. Chem. Inf. Model 2008 48 646 658 10.1021/ci7004093 18303878 (Pubitemid 351535432)
    • (2008) Journal of Chemical Information and Modeling , vol.48 , Issue.3 , pp. 646-658
    • Guha, R.1    Van Drie, J.H.2
  • 11
    • 0042468096 scopus 로고    scopus 로고
    • Impact of drug transporter studies on drug discovery and development
    • DOI 10.1124/pr.55.3.1
    • Impact of drug transporter studies on drug discovery and development. N Mizuno T Niwa Y Yotsumoto Y Sugiyama, Pharm. Reviews 2003 55 425 461 10.1124/pr.55.3.1 (Pubitemid 37013212)
    • (2003) Pharmacological Reviews , vol.55 , Issue.3 , pp. 425-461
    • Mizuno, N.1    Niwa, T.2    Yotsumoto, Y.3    Sugiyama, Y.4
  • 12
    • 0032518454 scopus 로고    scopus 로고
    • A general pattern for substrate recognition by P-glycoprotein
    • DOI 10.1046/j.1432-1327.1998.2510252.x
    • A general pattern for substrate recognition by P-glycoprotein. A Seelig, Eur. J. Biochem 1998 251 252 261 10.1046/j.1432-1327.1998.2510252.x 9492291 (Pubitemid 28081437)
    • (1998) European Journal of Biochemistry , vol.251 , Issue.1-2 , pp. 252-261
    • Seelig, A.1
  • 13
    • 0019991550 scopus 로고
    • Analysis of a simple self-organizing process
    • DOI 10.1007/BF00317973
    • Analysis of a simple self-organizing process. T Kohonen, Biol. Cybernetics 1982 44 135 140 10.1007/BF00317973 (Pubitemid 12045888)
    • (1982) Biological Cybernetics , vol.44 , Issue.2 , pp. 135-140
    • Kohonen, T.1
  • 14
    • 0020068152 scopus 로고
    • Self-organized formation of topologically correct feature maps
    • DOI 10.1007/BF00337288
    • Self-organizing formation of topologically correct feature maps. T Kohonen, Biol. Cybernetics 1982 43 59 69 10.1007/BF00337288 (Pubitemid 12139984)
    • (1982) Biological Cybernetics , vol.43 , Issue.1 , pp. 59-69
    • Kohonen, T.1
  • 16
    • 4344698366 scopus 로고    scopus 로고
    • Generation of QSAR sets with a self-organizing map
    • DOI 10.1016/j.jmgm.2004.03.003, PII S1093326304000166
    • Generation of QSAR sets with a self-organizing map. R Guha JR Serra PC Jurs, J. Mol. Graph. Model 2004 23 1 14 10.1016/j.jmgm.2004.03.003 15331049 (Pubitemid 39141242)
    • (2004) Journal of Molecular Graphics and Modelling , vol.23 , Issue.1 , pp. 1-14
    • Guha, R.1    Serra, J.R.2    Jurs, P.C.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.