UNIQUE DESCRIPTION OF CHEMICAL STRUCTURES ON HIERARCHICALLY ORDERED EXTENDED CONNECTIVITIES (HOC PROCEDURES) .2. MATHEMATICAL PROOFS FOR THE HOC ALGORITHM

被引:19
作者
MEKENYAN, O [1 ]
BONCHEV, D [1 ]
BALABAN, AT [1 ]
机构
[1] POLYTECH INST BUCHAREST,DEPT ORGAN CHEM,BUCHAREST,ROMANIA
关键词
D O I
10.1002/jcc.540060607
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
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页码:552 / 561
页数:10
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共 24 条
[1]   CHEMICAL GRAPHS .5. ENUMERATION AND PROPOSED NOMENCLATURE OF BENZENOID CATA-CONDENSED POLYCYCLIC AROMATIC HYDROCARBONS [J].
BALABAN, AT ;
HARARY, F .
TETRAHEDRON, 1968, 24 (06) :2505-&
[2]  
DAVIS MI, J COMPUT CHEM
[3]  
DOBRININ AA, 1983, 6TH ALL UN C COMP MO
[4]   SOME BASIC DEFINITIONS IN GRAPH THEORY [J].
ESSAM, JW ;
FISHER, ME .
REVIEWS OF MODERN PHYSICS, 1970, 42 (02) :271-&
[5]   GRAPH POTENTIALS METHOD AND ITS APPLICATION FOR CHEMICAL INFORMATION-PROCESSING [J].
GOLENDER, VE ;
DRBOGLAV, VV ;
ROSENBLIT, AB .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1981, 21 (04) :196-204
[6]  
Harary F., 1969, GRAPH THEORY, DOI DOI 10.21236/AD0705364
[7]   PROCEDURES FOR OBTAINING GRAPH-THEORETICAL RESONANCE ENERGIES [J].
HERNDON, WC ;
ELLZEY, ML .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1979, 19 (04) :260-264
[8]   ISOSPECTRAL GRAPHS AND MOLECULES [J].
HERNDON, WC ;
ELLZEY, ML .
TETRAHEDRON, 1975, 31 (02) :99-107
[9]   CANONICAL NUMBERING AND CONSTITUTIONAL SYMMETRY [J].
JOCHUM, C ;
GASTEIGER, J .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1977, 17 (02) :113-117
[10]   APPLICATIONS OF ARTIFICIAL INTELLIGENCE FOR CHEMICAL INFERENCE .I. NUMBER OF POSSIBLE ORGANIC COMPOUNDS . ACYCLIC STRUCTURES CONTAINING C H O AND N [J].
LEDERBERG, J ;
SUTHERLA.GL ;
BUCHANAN, BG ;
FEIGENBA.EA ;
ROBERTSO.AV ;
DUFFIELD, AM ;
DJERASSI, C .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (11) :2973-+