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Volumn 50, Issue 10, 2010, Pages 1790-1795

PZIM: A method for similarity searching using atom environments and 2D alignment

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULES;

EID: 77958525400     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci1002075     Document Type: Article
Times cited : (7)

References (15)
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  • 2
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    • 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. Model. 2004, 44, 1708-1718
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  • 3
    • 1842690601 scopus 로고    scopus 로고
    • Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naive Bayesian Classifier
    • Bender, A.; Mussa, H. Y.; Glen, R. C.; Reiling, S. Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naive Bayesian Classifier J. Chem. Inf. Model. 2004, 44, 170-178
    • (2004) J. Chem. Inf. Model. , vol.44 , pp. 170-178
    • Bender, A.1    Mussa, H.Y.2    Glen, R.C.3    Reiling, S.4
  • 4
    • 26944503021 scopus 로고    scopus 로고
    • Using Extended-Connectivity Fingerprints with Laplacian-Modified Bayesian Analysis in High-Throughput Screening Follow-Up
    • Rogers, D.; Brown, R. D.; Hahn, M. Using Extended-Connectivity Fingerprints with Laplacian-Modified Bayesian Analysis in High-Throughput Screening Follow-Up J. Biomol. Screen. 2005, 10, 682-686
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    • Rogers, D.1    Brown, R.D.2    Hahn, M.3
  • 5
    • 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
  • 6
    • 0035829402 scopus 로고    scopus 로고
    • One-Dimensional Molecular Representations and Similarity Calculations: Methodology and Validation
    • Dixon, S. L.; Merz, K. M. One-Dimensional Molecular Representations and Similarity Calculations: Methodology and Validation J. Med. Chem. 2001, 44, 3795-3809
    • (2001) J. Med. Chem. , vol.44 , pp. 3795-3809
    • Dixon, S.L.1    Merz, K.M.2
  • 8
    • 27444432345 scopus 로고    scopus 로고
    • Fast Small Molecule Similarity Searching with Multiple Alignment Profiles of Molecules Represented in One-Dimension
    • Wang, N.; DeLisle, R. K.; Diller, D. J. Fast Small Molecule Similarity Searching with Multiple Alignment Profiles of Molecules Represented in One-Dimension J. Med. Chem. 2005, 48, 6980-6990
    • (2005) J. Med. Chem. , vol.48 , pp. 6980-6990
    • Wang, N.1    Delisle, R.K.2    Diller, D.J.3
  • 9
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    • Prospective Ligand- and Target-Based 3D QSAR: State of the Art 2008
    • Clark, R. D. Prospective Ligand- and Target-Based 3D QSAR: State of the Art 2008 Curr. Top. Med. Chem. 2009, 9, 791-810
    • (2009) Curr. Top. Med. Chem. , vol.9 , pp. 791-810
    • Clark, R.D.1
  • 10
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    • Generation of a unique machine description for chemical structures - A technique developed at Chemical Abstracts Service
    • Morgan, H. L. Generation of a unique machine description for chemical structures - a technique developed at Chemical Abstracts Service J. Chem. Doc. 1965, 5, 107-13
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    • Tripos Mol2 File Format. Accessed August 20.
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  • 13
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  • 14
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    • Tovar, A.; Eckert, H.; Bajorath, J. Comparison of 2D Fingerprint Methods for Multiple-Template Similarity Searching on Compound Activity Classes of Increasing Structural Diversity ChemMedChem 2007, 2, 208-217
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    • Tovar, A.1    Eckert, H.2    Bajorath, J.3
  • 15
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    • ZINC - A Free Database of Commercially Available Compounds for Virtual Screening
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.