IMPLEMENTATION AND USE OF AN ATOM-MAPPING PROCEDURE FOR SIMILARITY SEARCHING IN DATABASES OF 3-D CHEMICAL STRUCTURES

被引：0
|
作者：
PEPPERRELL, CA
WILLETT, P
TAYLOR, R
机构：
[1] UNIV SHEFFIELD, DEPT INFORMAT STUDIES, SHEFFIELD S10 2TN, S YORKSHIRE, ENGLAND
[2] ICI AGROCHEM, JEALOTTS HILL RES STN, BERKSHIRE RG12 6EY, ENGLAND
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1991年 / 202卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：43 / COMP
相关论文
共 50 条
  • [1] DEVELOPMENT OF AN ATOM MAPPING PROCEDURE FOR SIMILARITY SEARCHING IN DATABASES OF 3-DIMENSIONAL CHEMICAL STRUCTURES
    PEPPERRELL, CA
    POIRRETTE, AR
    WILLETT, P
    TAYLOR, R
    [J]. PESTICIDE SCIENCE, 1991, 33 (01): : 97 - 111
  • [2] ALGORITHMS FOR SUBSTRUCTURE SEARCHING IN DATABASES OF CONFORMATIONALLY-FLEXIBLE 3-D CHEMICAL STRUCTURES
    WILLETT, P
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1993, 206 : 28 - CINF
  • [3] Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): Evaluation of performance
    Bender, A
    Mussa, HY
    Glen, RC
    Reiling, S
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2004, 44 (05): : 1708 - 1718
  • [4] Similarity searching in databases of flexible 3D structures using smoothed bounded distance matrices
    Raymond, JW
    Willett, P
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2003, 43 (03): : 908 - 916
  • [5] SEARCHING TECHNIQUES FOR DATABASES OF 3-DIMENSIONAL CHEMICAL STRUCTURES
    BURES, MG
    MARTIN, YC
    WILLETT, P
    [J]. TOPICS IN STEREOCHEMISTRY, VOL 21, 1994, 21 : 467 - 511
  • [6] Searching Protein 3-D Structures in Linear Time
    Shibuya, Tetsuo
    [J]. JOURNAL OF COMPUTATIONAL BIOLOGY, 2010, 17 (03) : 203 - 219
  • [7] Searching Protein 3-D Structures in Linear Time
    Shibuya, Tetsuo
    [J]. RESEARCH IN COMPUTATIONAL MOLECULAR BIOLOGY, PROCEEDINGS, 2009, 5541 : 1 - 15
  • [8] CLIP: Similarity searching of 3D databases using clique detection
    Rhodes, N
    Willett, P
    Calvet, A
    Dunbar, JB
    Humblet, C
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2003, 43 (02): : 443 - 448
  • [9] Efficient generation, storage, and manipulation of fully flexible pharmacophore multiplets and their use in 3-D similarity searching
    Abrahamian, E
    Fox, PC
    Nærum, L
    Christensen, IT
    Thogersen, H
    Clark, RD
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2003, 43 (02): : 458 - 468
  • [10] SIMILARITY SEARCHING IN FILES OF 3-DIMENSIONAL CHEMICAL STRUCTURES - IMPLEMENTATION OF ATOM MAPPING ON THE DISTRIBUTED ARRAY PROCESSOR DAP-610, THE MASPAR MP-1104, AND THE CONNECTION MACHINE CM-200
    WILD, DJ
    WILLETT, P
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1994, 34 (01): : 224 - 231
12345