APPLICATIONS OF ARTIFICIAL-INTELLIGENCE FOR CHEMICAL INFERENCE .39. STRUCTURE EVALUATION USING PREDICTED C-13 SPECTRA

被引:24
作者
CRANDELL, CW [1 ]
GRAY, NAB [1 ]
SMITH, DH [1 ]
机构
[1] STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1982年 / 22卷 / 01期
关键词
D O I
10.1021/ci00033a010
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:48 / 57
页数:10
相关论文
共 27 条
  • [1] APSIMON JW, 1980, CAN J CHEM, V58, P2703
  • [2] APPLICATIONS OF ARTIFICIAL-INTELLIGENCE FOR CHEMICAL INFERENCE .37. GENOA - A COMPUTER-PROGRAM FOR STRUCTURE ELUCIDATION UTILIZING OVERLAPPING AND ALTERNATIVE SUBSTRUCTURES
    CARHART, RE
    SMITH, DH
    GRAY, NAB
    NOURSE, JG
    DJERASSI, C
    [J]. JOURNAL OF ORGANIC CHEMISTRY, 1981, 46 (08) : 1708 - 1718
  • [3] APPLICATIONS OF ARTIFICIAL INTELLIGENCE FOR CHEMICAL INFERENCE .17. APPROACH TO COMPUTER-ASSISTED ELUCIDATION OF MOLECULAR-STRUCTURE
    CARHART, RE
    SMITH, DH
    BROWN, H
    DJERASSI, C
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (20) : 5755 - 5762
  • [4] APPLICATIONS OF ARTIFICIAL INTELLIGENCE FOR CHEMICAL INFERENCE .11. ANALYSIS OF C-13 NUCLEAR MAGNETIC-RESONANCE DATA FOR STRUCTURE ELUCIDATION OF ACYCLIC AMINES
    CARHART, RE
    DJERASSI, C
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1973, (13): : 1753 - 1759
  • [5] C-13 NUCLEAR MAGNETIC-RESONANCE SPECTRA OF ACYCLIC ALIPHATIC-AMINES
    EGGERT, H
    DJERASSI, C
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (11) : 3710 - 3718
  • [6] COMPUTERIZED MASS-SPECTRUM PREDICTION AND RANKING
    GRAY, NAB
    CARHART, RE
    LAVANCHY, A
    SMITH, DH
    VARKONY, T
    BUCHANAN, BG
    WHITE, WC
    CREARY, L
    [J]. ANALYTICAL CHEMISTRY, 1980, 52 (07) : 1095 - 1102
  • [7] APPLICATIONS OF ARTIFICIAL-INTELLIGENCE FOR CHEMICAL INFERENCE .34. COMPUTER-ASSISTED STRUCTURAL INTERPRETATION OF C-13 SPECTRAL DATA
    GRAY, NAB
    CRANDELL, CW
    NOURSE, JG
    SMITH, DH
    DAGEFORDE, ML
    DJERASSI, C
    [J]. JOURNAL OF ORGANIC CHEMISTRY, 1981, 46 (04) : 703 - 715
  • [8] APPLICATIONS OF ARTIFICIAL-INTELLIGENCE FOR CHEMICAL INFERENCE .35. STEREOCHEMICAL SUBSTRUCTURE CODES FOR C-13 SPECTRAL-ANALYSIS
    GRAY, NAB
    NOURSE, JG
    CRANDELL, CW
    SMITH, DH
    DJERASSI, C
    [J]. ORGANIC MAGNETIC RESONANCE, 1981, 15 (04): : 375 - 389
  • [9] SOLUTION OF ONE CLASSICAL PROBLEM IN VIBRATIONAL SPECTROSCOPY
    GRIBOV, LA
    ELYASHBERG, ME
    SEROV, VV
    [J]. JOURNAL OF MOLECULAR STRUCTURE, 1978, 50 (02) : 371 - 387
  • [10] NEW APPROACH TO THE DETERMINATION OF MOLECULAR SPATIAL STRUCTURE BASED ON THE USE OF SPECTRA AND COMPUTERS
    GRIBOV, LA
    ELYASHBERG, ME
    RAIKHSHTAT, MM
    [J]. JOURNAL OF MOLECULAR STRUCTURE, 1979, 53 (01) : 81 - 96