메뉴 건너뛰기




Volumn 28, Issue 16, 2012, Pages 2200-2201

MolClass: A web portal to interrogate diverse small molecule screen datasets with different computational models

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; ARTICLE; ARTIFICIAL INTELLIGENCE; BIOCHEMISTRY; BIOLOGY; COMPUTER PROGRAM; COMPUTER SIMULATION; FACTUAL DATABASE; INTERNET; METHODOLOGY;

EID: 84865075102     PISSN: 13674803     EISSN: 14602059     Source Type: Journal    
DOI: 10.1093/bioinformatics/bts349     Document Type: Article
Times cited : (7)

References (13)
  • 1
    • 77953805895 scopus 로고    scopus 로고
    • A predictive model for drug bioaccumulation and bioactivity in Caenorhabditis elegans
    • Burns, A.R. et al. (2010) A predictive model for drug bioaccumulation and bioactivity in Caenorhabditis elegans. Nat. Chem. Biol., 6, 549-557.
    • (2010) Nat. Chem. Biol. , vol.6 , pp. 549-557
    • Burns, A.R.1
  • 2
    • 34247217907 scopus 로고    scopus 로고
    • Chemical genetics reveals a complex functional ground state of neural stem cells
    • Diamandis, P. et al. (2007) Chemical genetics reveals a complex functional ground state of neural stem cells. Nat. Chem. Biol., 3, 268-273.
    • (2007) Nat. Chem. Biol. , vol.3 , pp. 268-273
    • Diamandis, P.1
  • 3
    • 11144341956 scopus 로고    scopus 로고
    • Chemical space and biology
    • Dobson, C.M. (2004) Chemical space and biology. Nature, 432, 824-828.
    • (2004) Nature , vol.432 , pp. 824-828
    • Dobson, C.M.1
  • 4
    • 76749092270 scopus 로고    scopus 로고
    • The WEKA data mining software: an update
    • Hall, M. et al. (2009) The WEKA data mining software: an update. SIGKDD Explorations, 11, 10-18.
    • (2009) SIGKDD Explorations , vol.11 , pp. 10-18
    • Hall, M.1
  • 5
    • 77956123443 scopus 로고    scopus 로고
    • Functionality pattern matching as an efficient complemntary structure/reaction search tool: an open-source approach
    • Haider, N. (2010) Functionality pattern matching as an efficient complemntary structure/reaction search tool: an open-source approach. Molecules, 15, 5079-5092.
    • (2010) Molecules , vol.15 , pp. 5079-5092
    • Haider, N.1
  • 6
    • 70349910465 scopus 로고    scopus 로고
    • Benchmark data set for in silico prediction of Ames mutagenicity
    • Hansen, K. et al. (2009) Benchmark data set for in silico prediction of Ames mutagenicity. J. Chem. Inf. Model., 49, 9:2077-2081.
    • (2009) J. Chem. Inf. Model. , vol.49 , pp. 2077-2081
    • Hansen, K.1
  • 7
    • 54249155522 scopus 로고    scopus 로고
    • Network pharmacology: the next paradigm in drug discovery
    • Hopkins, L.A. (2008) Network pharmacology: the next paradigm in drug discovery. Nat. Chem. Biol., 4, 682-690.
    • (2008) Nat. Chem. Biol. , vol.4 , pp. 682-690
    • Hopkins, L.A.1
  • 8
    • 5444258177 scopus 로고    scopus 로고
    • ADME evaluation in drug discovery. 5. Correlation of Caco-2 permeation with simple molecular properties
    • Hou, T.J. et al. (2004) ADME evaluation in drug discovery. 5. Correlation of Caco-2 permeation with simple molecular properties. J. Chem. Inf. Comput. Sci., 44, 1585-1600.
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , pp. 1585-1600
    • Hou, T.J.1
  • 9
    • 12144257810 scopus 로고    scopus 로고
    • Derivation and validation of toxicophores for mutagenicity prediction
    • Kazius, J. et al. (2005) Derivation and validation of toxicophores for mutagenicity prediction. J. Med. Chem., 48, 312-320.
    • (2005) J. Med. Chem. , vol.48 , pp. 312-320
    • Kazius, J.1
  • 10
    • 26944502743 scopus 로고    scopus 로고
    • Effect of selection of molecular descriptors on the prediction of blood-brain barrier penetrating and nonpenetrating agents by statistical learning methods
    • Li, H. et al. (2005) Effect of selection of molecular descriptors on the prediction of blood-brain barrier penetrating and nonpenetrating agents by statistical learning methods. J. Chem. Inf. Model., 45, 1376-1384.
    • (2005) J. Chem. Inf. Model. , vol.45 , pp. 1376-1384
    • Li, H.1
  • 11
    • 0346586663 scopus 로고    scopus 로고
    • SMOTE: synthetic minority over-sampling technique
    • Nitesh, V.C. et al. (2002) SMOTE: synthetic minority over-sampling technique. J. Artif. Intell. Res., 16, 321-357.
    • (2002) J. Artif. Intell. Res. , vol.16 , pp. 321-357
    • Nitesh, V.C.1
  • 12
    • 79959580788 scopus 로고    scopus 로고
    • Cross-species discovery of syncretic drug combinations that potentiate the antifungal flucanozole
    • Spitzer, M. et al. (2011) Cross-species discovery of syncretic drug combinations that potentiate the antifungal flucanozole. Mol. Syst. Biol., 7, 499.
    • (2011) Mol. Syst. Biol. , vol.7 , pp. 499
    • Spitzer, M.1
  • 13
    • 0037361967 scopus 로고    scopus 로고
    • The Chemistry Development Kit (CDK): an open-source java library for chemo-and bioinformatics
    • Steinbeck, C. et al. (2003) The Chemistry Development Kit (CDK): an open-source java library for chemo-and bioinformatics. J. Chem. Inf. Comput. Sci., 43, 493-500.
    • (2003) J. Chem. Inf. Comput. Sci. , vol.43 , pp. 493-500
    • Steinbeck, C.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.