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Volumn 24, Issue 6-7, 2010, Pages 627-638

Combinatorial-computational-chemoinformatics (C3) approach to finding and analyzing low-energy tautomers

Author keywords

Chemoinformatics; Combinatorial approach; Electronic structure methods; Tautomer

Indexed keywords

CHARGE TRANSFER; DIGITAL LIBRARIES; ELECTRONS; LIBRARIES; NUCLEIC ACIDS;

EID: 77955711592     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-010-9344-6     Document Type: Review
Times cited : (11)

References (46)
  • 2
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    • Innovative computational applications. Institute for International Research, Sir Francis Drake Hotel, San Francisco, 25-27 Oct 1999
    • Sayle R, Delany J (1999) Canonicalization and enumeration of tautomers, In: Innovative computational applications. Institute for International Research, Sir Francis Drake Hotel, San Francisco, 25-27 Oct 1999
    • (1999) Canonicalization and Enumeration of Tautomers
    • Sayle, R.1    Delany, J.2
  • 3
    • 77955708269 scopus 로고    scopus 로고
    • TAUTOMER, developed and distributed by Molecular networks GmbH, Erlangen, Germany
    • TAUTOMER, developed and distributed by Molecular networks GmbH, Erlangen, Germany
  • 14
    • 77955711635 scopus 로고    scopus 로고
    • In case on neutral NABs, canonical tautomer is either the most stable tautomer or among few most stable tautomers
    • In case on neutral NABs, canonical tautomer is either the most stable tautomer or among few most stable tautomers
  • 16
    • 77955715571 scopus 로고    scopus 로고
    • Freely available at, Accessed 25 Jan
    • Freely available at http://tautgen.sourceforge.net Accessed 25 Jan 2010
    • (2010)
  • 24
    • 77955716919 scopus 로고
    • BO Roos (ed)Lecture notes in quantum chemistry II, Springer, Berlin
    • Taylor PR (1994) In: BO Roos (ed) Lecture notes in quantum chemistry II, Springer, Berlin
    • (1994)
    • Taylor, P.R.1
  • 32
    • 77955716265 scopus 로고    scopus 로고
    • GOT: Gaussian output tools available at, Accessed 25 Jan
    • GOT: Gaussian output tools available at http://gaussot.sf.net Accessed 25 Jan 2010
    • (2010)
  • 33
    • 0037149133 scopus 로고    scopus 로고
    • and references cited therein
    • Fogarasi G (2002) J Phys Chem A 106:1381-1390 and references cited therein
    • (2002) J Phys Chem A , vol.106 , pp. 1381-1390
    • Fogarasi, G.1
  • 41
    • 77955711077 scopus 로고    scopus 로고
    • Open-source Cubefile Manipulator Program (OpenCubMan) is available free of charge at SourceForge archive: Accessed 15 Jan
    • Open-source Cubefile Manipulator Program (OpenCubMan) is available free of charge at SourceForge archive: http://opencubman. sourceforge.net Accessed 15 Jan 2010
    • (2010)
  • 45
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    • Accessed 25 Jan
    • http://www.digitalchemistry.co.uk Accessed 25 Jan 2010
    • (2010)


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.