CUMULATIVE AND DISCRETE SIMILARITY ANALYSIS OF ELECTROSTATIC POTENTIALS AND FIELDS

被引：67
|
作者：
PETKE, JD
机构：
[1] Upjohn Laboratories, Kalamazoo, Michigan
来源：
JOURNAL OF COMPUTATIONAL CHEMISTRY | 1993年 / 14卷 / 08期
关键词：
D O I：
10.1002/jcc.540140808
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A new index suitable for computing molecular similarity based upon the similarity of molecular properties such as electrostatic potentials or electrostatic fields is presented in two forms. For one form of the present index, general conditions are established for which a linear measure of similarity is obtained. An illustrative example is provided in which the electrostatic field and electrostatic potential of guanine obtained from different wave functions are compared. (C) 1993 by John Wiley & Sons, Inc.
引用
收藏
页码：928 / 933
页数：6
相关论文
共 50 条
  • [31] Cumulative discrete choice
    Gilboa, I
    Pazgal, A
    MARKETING LETTERS, 2001, 12 (02) : 119 - 130
  • [32] Symmetry analysis and similarity electrostatic waves in a nonuniform dusty magnetoplasma
    Tang, Xiao-Yan
    Shukla, Padma Kant
    JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL, 2007, 40 (22) : 5921 - 5935
  • [33] Electrostatic Similarity Analysis of Human β-Defensin Binding in the Melanocortin System
    Nix, Matthew A.
    Kaelin, Christopher B.
    Palomino, Rafael
    Miller, Jillian L.
    Barsh, Gregory S.
    Millhauser, Glenn L.
    BIOPHYSICAL JOURNAL, 2015, 109 (09) : 1946 - 1958
  • [34] Analysis of Discrete Property of Electrostatic Discharge with Moving Electrode
    Ruan, Fangming
    Wang, Xiaolu
    Wang, Huaiyu
    Zhou, Feng
    Dlugosz, Tomasz
    10TH INTERNATIONAL SYMPOSIUM ON ELECTROMAGNETIC COMPATIBILITY, 2011, : 464 - 467
  • [35] ELECTROSTATIC POTENTIALS, FIELDS AND FIELD GRADIENTS FROM A GENERAL CRYSTALLINE CHARGE-DENSITY
    HERZIG, P
    THEORETICA CHIMICA ACTA, 1985, 67 (04): : 323 - 333
  • [36] ELECTROSTATIC POTENTIALS OF ELASTASE
    ABRAHAM, RJ
    HUDSON, BD
    THOMAS, WA
    KRON, A
    JOURNAL OF MOLECULAR GRAPHICS, 1985, 3 (03): : 101 - 102
  • [37] SIMILARITY ANALYSIS BY RECIPROCAL PAIRS FOR DISCRETE AND CONTINUOUS DATA
    MCQUITTY, LL
    EDUCATIONAL AND PSYCHOLOGICAL MEASUREMENT, 1966, 26 (04) : 825 - &
  • [38] A method for discrete quantization and similarity analysis of assembly model
    Zhang J.
    Ji B.
    Yang N.
    Tang W.
    Hangkong Xuebao/Acta Aeronautica et Astronautica Sinica, 2021, 42 (10):
  • [39] Applicability Evaluation of Similarity Principle in Discrete Element Analysis
    Yun, Taeyoung
    Park, Heemun
    PROCEEDINGS OF THE 7TH INTERNATIONAL CONFERENCE ON DISCRETE ELEMENT METHODS, 2017, 188 : 117 - 123
  • [40] MEPSIM - A COMPUTATIONAL PACKAGE FOR ANALYSIS AND COMPARISON OF MOLECULAR ELECTROSTATIC POTENTIALS
    SANZ, F
    MANAUT, F
    RODRIGUEZ, J
    LOZOYA, E
    LOPEZDEBRINAS, E
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1993, 7 (03) : 337 - 347
12345