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Volumn 18, Issue 7-9, 2004, Pages 587-596

3D-QSAR illusions

Author keywords

CoMFA; HASL; QSAR

Indexed keywords

3D DESCRIPTOR; 3D-QSAR; ANALYTICAL TOOL; COMFA; CONSTRUCT MODELS; DESCRIPTORS; HASL; PREDICTIVITY; QSAR; TEST SETS;

EID: 20844453232     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10822-004-4068-0     Document Type: Article
Times cited : (130)

References (60)
  • 53
    • 12544257736 scopus 로고    scopus 로고
    • RCSB (Research Collaboratory for Structural Bioinformatics), Rutgers University, NJ (www.rcsb.org/pdb)
    • RCSB (Research Collaboratory for Structural Bioinformatics), Rutgers University, NJ (www.rcsb.org/pdb).
  • 55
    • 12544259661 scopus 로고    scopus 로고
    • Flo(qxp), Colin McMartin, Thistlesoft, Colebrook, CT
    • Flo(qxp), Colin McMartin, Thistlesoft, Colebrook, CT.
  • 56
    • 12544257488 scopus 로고    scopus 로고
    • CoMFA module within Sybyl, Tripos, St. Louis, MO
    • CoMFA module within Sybyl, Tripos, St. Louis, MO.
  • 57
    • 12544251056 scopus 로고    scopus 로고
    • HASL, Hypothesis software, Long Valley, NJ
    • HASL, Hypothesis software, Long Valley, NJ.
  • 59
    • 12544253796 scopus 로고    scopus 로고
    • I-Set: Twenty substituted naphthalenes (-log activity values 2.8-7.0) overlayed using a template paradigm. Activities were adjusted to optimize the CoMFA model using Gasteiger/Hückel charges
    • I-Set: Twenty substituted naphthalenes (-log activity values 2.8-7.0) overlayed using a template paradigm. Activities were adjusted to optimize the CoMFA model using Gasteiger/Hückel charges.
  • 60
    • 12544259548 scopus 로고    scopus 로고
    • SAM1-Semiempirical quantum mechanical program-implemented within Sybyl (Tripos, St. Louis, MO)
    • SAM1-Semiempirical quantum mechanical program-implemented within Sybyl (Tripos, St. Louis, MO).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.