메뉴 건너뛰기




Volumn , Issue , 2003, Pages 378-381

Virtual computational chemistry laboratory: Internet tool for remote modeling and design in chemical problems

Author keywords

Biochemical analysis; Chemical analysis; Chemistry; Computer interfaces; Data analysis; Internet; Laboratories; Petroleum; Software performance; World Wide Web

Indexed keywords

C++ (PROGRAMMING LANGUAGE); CHEMISTRY; CLIENT SERVER COMPUTER SYSTEMS; COMPUTATIONAL CHEMISTRY; COMPUTER SOFTWARE; CRUDE OIL; DATA ACQUISITION; DATA HANDLING; DATA REDUCTION; INFORMATION ANALYSIS; INTERFACES (COMPUTER); INTERNET; LABORATORIES; WORLD WIDE WEB;

EID: 84946093289     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/IDAACS.2003.1249590     Document Type: Conference Paper
Times cited : (2)

References (18)
  • 1
    • 84946012853 scopus 로고    scopus 로고
    • Internet Software for Calculation of Lipophilicity and Aqueous Solubility of Chemical Compounds
    • in press
    • I.Tetko, V.Tanchuk, T.Kasheva, A.Villa. Internet Software for Calculation of Lipophilicity and Aqueous Solubility of Chemical Compounds, Chem. Inf. Comput. Sci., 2000, in press.
    • (2000) Chem. Inf. Comput. Sci.
    • Tetko, I.1    Tanchuk, V.2    Kasheva, T.3    Villa, A.4
  • 3
    • 0000691934 scopus 로고    scopus 로고
    • Neural Network Modeling for Estimation of Partition Coefficient Based on Atom-type Electrotopological State Indices
    • J.Huuskonen, D.Livingstone, I.Tetko. Neural Network Modeling for Estimation of Partition Coefficient Based on Atom-type Electrotopological State Indices J. Chem. Inf. Comput. Sci., 40 (4), (2000), pp.947-955.
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40 , Issue.4 , pp. 947-955
    • Huuskonen, J.1    Livingstone, D.2    Tetko, I.3
  • 5
    • 0002749988 scopus 로고    scopus 로고
    • Comparative Evaluation of Chemical and Environmental Online and CD-ROM Databases
    • K. Voigt, J. Gasteiger, R. Brüggemann. Comparative Evaluation of Chemical and Environmental Online and CD-ROM Databases, Chem. Inf. Comput. Sci., 40, (2000), pp.44-49.
    • (2000) Chem. Inf. Comput. Sci. , vol.40 , pp. 44-49
    • Voigt, K.1    Gasteiger, J.2    Brüggemann, R.3
  • 7
    • 84946033364 scopus 로고    scopus 로고
    • Making the Computer Understand Chemistry
    • Making the Computer Understand Chemistry, Gasteiger Internet Chemistry, 1, 33, (1998), URL: http://www.ijc.com/articles/1998v1/33/.
    • (1998) Gasteiger Internet Chemistry , vol.1 , pp. 33
  • 9
    • 0012019079 scopus 로고    scopus 로고
    • New 3D Molecular Descriptors: The WHIM theory and QSAR applications
    • (H.Kubinyi, G. Folkers, Y.Martin, eds.), Kluwer/Escom, Dordrecht, The Netherlands
    • R. Todeschini, P. Gramatica. New 3D Molecular Descriptors: The WHIM theory and QSAR applications. In 3D QSAR in Drug Design (H.Kubinyi, G. Folkers, Y.Martin, eds.), Kluwer/Escom, Dordrecht, The Netherlands, 1998. pp. 355-380.
    • (1998) 3D QSAR in Drug Design , pp. 355-380
    • Todeschini, R.1    Gramatica, P.2
  • 10
    • 84946069617 scopus 로고    scopus 로고
    • World Wide Web-based Calculation of Substituent Parameters for QSAR Studies
    • K. Gundertofte, F. Jorgensen. Kluwer Academic. Plenum Publishers, New York
    • P. Ertl. World Wide Web-based Calculation of Substituent Parameters for QSAR Studies In Molecular Modeling and Prediction of Bioactivity. K. Gundertofte, F. Jorgensen. Kluwer Academic. Plenum Publishers, New York, 2000. pp. 267-268.
    • (2000) Molecular Modeling and Prediction of Bioactivity , pp. 267-268
    • Ertl, P.1
  • 11
    • 0041350971 scopus 로고    scopus 로고
    • QSAR Analysis through the World Wide Web
    • Special Issue Chemistry and the Internet
    • P. Ertl. QSAR Analysis through the World Wide Web Chimia (special issue Chemistry and the Internet), 52, (1998), pp. 673-677.
    • (1998) Chimia , vol.52 , pp. 673-677
    • Ertl, P.1
  • 12
    • 0034265479 scopus 로고    scopus 로고
    • Unsupervised Forward Selection: A Method for Eliminating Redundant Variables
    • in press
    • D.Whitley, M.Ford, D.Livingstone. Unsupervised Forward Selection: A Method for Eliminating Redundant Variables, Chem. Inf. Comput. Sci., 2000, in press.
    • (2000) Chem. Inf. Comput. Sci.
    • Whitley, D.1    Ford, M.2    Livingstone, D.3
  • 13
    • 0031090791 scopus 로고    scopus 로고
    • Data Modelling With Neural Networks - Advantages and Limitations
    • D.Livingstone, D.Manallack, I.Tetko. Data Modelling With Neural Networks - Advantages and Limitations, Comp.-Aid. Mol. Design, 11 (1997). pp.135-142.
    • (1997) Comp.-Aid. Mol. Design , vol.11 , pp. 135-142
    • Livingstone, D.1    Manallack, D.2    Tetko, I.3
  • 15
    • 0001358063 scopus 로고    scopus 로고
    • Molecular Field Topology Analysis (MFTA) method in QSAR Studues of Organic Compounds
    • V.Palyulin, E.Radchenko, N.Zefirov. Molecular Field Topology Analysis (MFTA) method in QSAR Studues of Organic Compounds, Chem. Inf. Comput. Sci., 33 (2000). pp.659-667.
    • (2000) Chem. Inf. Comput. Sci. , vol.33 , pp. 659-667
    • Palyulin, V.1    Radchenko, E.2    Zefirov, N.3
  • 17
    • 84946086807 scopus 로고    scopus 로고
    • Internet Software for Calculation of Lipophilicity and Aqueous Solubility of Chemical Compounds
    • in press
    • I.Tetko, V.Tanchuk, T.Kasheva, A.Villa. Internet Software for Calculation of Lipophilicity and Aqueous Solubility of Chemical Compounds, JCICS, 2000, in press.
    • (2000) JCICS
    • Tetko, I.1    Tanchuk, V.2    Kasheva, T.3    Villa, A.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.