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Volumn 47, Issue 23, 2004, Pages 5608-5611

POT-DMC: A virtual screening method for the identification of potent hits

Author keywords

[No Author keywords available]

Indexed keywords

CHEMOKINE RECEPTOR CCR5; CHEMOKINE RECEPTOR CCR5 ANTAGONIST; GONADORELIN AGONIST; SEROTONIN 3 AGONIST; UNCLASSIFIED DRUG;

EID: 7444270927     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm049505g     Document Type: Article
Times cited : (22)

References (14)
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    • Xue, L.; Godden, J. W.; Bajorath, J. Mini-fingerprints: design principles and generation of novel prototypes based on information theory. SAR QSAR Environ. Res. 2003, 14, 27-40.
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    • Xue, L.1    Godden, J.W.2    Bajorath, J.3
  • 4
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    • Library design and virtual screening using multiple 4-point pharmacophore fingerprints
    • Mason, J. S.; Cheney, D. L. Library design and virtual screening using multiple 4-point pharmacophore fingerprints. Pac. Symp. Biocomput. 2000, 5, 576-587.
    • (2000) Pac. Symp. Biocomput. , vol.5 , pp. 576-587
    • Mason, J.S.1    Cheney, D.L.2
  • 5
    • 33746132663 scopus 로고
    • Implementation of nonhierarchic cluster analysis methods in chemical information systems: Selection of compounds for biological testing and clustering of substructure search output
    • Willett, P.; Wintermann, V.; Bawden, D. Implementation of nonhierarchic cluster analysis methods in chemical information systems: selection of compounds for biological testing and clustering of substructure search output. J. Chem. Inf. Comput. Sci. 1986, 26, 109-118.
    • (1986) J. Chem. Inf. Comput. Sci. , vol.26 , pp. 109-118
    • Willett, P.1    Wintermann, V.2    Bawden, D.3
  • 6
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    • Partitioning methods for the identification of active molecules
    • Stahura, F. L.; Bajorath, J. Partitioning methods for the identification of active molecules. Curr. Med. Chem. 2003, 8, 707-715.
    • (2003) Curr. Med. Chem. , vol.8 , pp. 707-715
    • Stahura, F.L.1    Bajorath, J.2
  • 8
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    • Construction of a virtual high throughput screen by 4D-QSAR analysis: Application to a combinatorial library of glucose inhibitors of glycogen phosphorylase b
    • Hopfinger, A. J.; Reaka, A.; Venkatarangan, P.; Duca, J. S.; Wang, S. Construction of a virtual high throughput screen by 4D-QSAR analysis: application to a combinatorial library of glucose inhibitors of glycogen phosphorylase b. J. Chem. Inf. Comput. Sci. 1999, 39, 1151-1160.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 1151-1160
    • Hopfinger, A.J.1    Reaka, A.2    Venkatarangan, P.3    Duca, J.S.4    Wang, S.5
  • 9
    • 0035003411 scopus 로고    scopus 로고
    • Identification of the descriptor pharmacophores using variable selection QSAR: Applications to data-base mining
    • Tropsha, A.; Zheng, W. Identification of the descriptor pharmacophores using variable selection QSAR: applications to data-base mining. Curr. Pharm. Des. 2001, 7, 599-612.
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    • Tropsha, A.1    Zheng, W.2
  • 10
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    • Application of predictive QSAR models to database mining: Identification and experimental validation of novel anticonvulsant compounds
    • Shen, M.; Beguin, C.; Golbraikh, A.; Stables, J. P.; Kohn, H.; Tropsha, A. Application of predictive QSAR models to database mining: identification and experimental validation of novel anticonvulsant compounds. J. Med. Chem. 2004, 47, 2356-2364.
    • (2004) J. Med. Chem. , vol.47 , pp. 2356-2364
    • Shen, M.1    Beguin, C.2    Golbraikh, A.3    Stables, J.P.4    Kohn, H.5    Tropsha, A.6
  • 11
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    • Molecular similarity analysis and virtual screening by mapping of consensus positions in binary-transformed chemical descriptor spaces with variable dimensionality
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    • Debnath, A.K.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.