Three-dimensional molecular descriptors based on electron charge density weighted graphs

被引：0
|
作者：
Estrada, Ernesto
机构：
来源：
Journal of Chemical Information and Computer Sciences | 1995年 / 35卷 / 04期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [1] 3-DIMENSIONAL MOLECULAR DESCRIPTORS BASED ON ELECTRON CHARGE-DENSITY WEIGHTED GRAPHS
    ESTRADA, E
    JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1995, 35 (04): : 708 - 713
  • [2] Molecular Design using Three-Dimensional Signature Descriptors
    Herring, Robert H.
    Namikis, Rudolfs
    Chemmangattuvalappil, Nishanth G.
    Roberts, Christopher B.
    Eden, Mario R.
    11TH INTERNATIONAL SYMPOSIUM ON PROCESS SYSTEMS ENGINEERING, PTS A AND B, 2012, 31 : 225 - 229
  • [3] Three-dimensional molecular descriptors and a novel QSAR method
    Wildman, SA
    Crippen, GM
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2002, 21 (03): : 161 - 170
  • [4] Critically shielded potential in a three-dimensional electron gas: The induced charge density at the origin
    Nagy, I.
    Glasser, M. L.
    March, N. H.
    PHYSICS LETTERS A, 2009, 373 (35) : 3182 - 3183
  • [5] Nanoscale Three-Dimensional Charge Density and Electric Field Mapping by Electron Holographic Tomography
    Zheng, Fengshan
    Migunov, Vadim
    Caron, Jan
    Du, Hongchu
    Pozzi, Giulio
    Dunin-Borkowski, Rafal E.
    NANO LETTERS, 2023, 23 (03) : 843 - 849
  • [6] Three-dimensional electron microscopy at molecular resolution
    Subramaniam, S
    Milne, JLS
    ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE, 2004, 33 : 141 - 155
  • [7] Use of three-dimensional descriptors in molecular design for biologically active compounds
    Mapari, Shweta
    Camarda, Kyle, V
    CURRENT OPINION IN CHEMICAL ENGINEERING, 2020, 27 (60-64) : 60 - 64
  • [8] Development of New Molecular Descriptors Based on Flare Software Considering Three-Dimensional Chemical Structures
    Nakayama, Yuki
    Kaneko, Hiromasa
    INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2023, 63 (01) : 49 - 55
  • [9] Development of New Molecular Descriptors Based on Flare Software Considering Three-Dimensional Chemical Structures
    Nakayama, Yuki
    Kaneko, Hiromasa
    Industrial and Engineering Chemistry Research, 2024, 63 (01): : 49 - 55
  • [10] Wavelet-based three-dimensional descriptors of aggregate particles
    Kim, H
    Haas, CT
    Rauch, AF
    Browne, C
    GEOMATERIALS 2002: SOILS, GEOLOGY, AND FOUNDATIONS, 2002, (1787): : 109 - 116
12345