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Tuesday, April 21, 2020 | History

3 edition of Searching for angular patterns in files of three-dimensional chemical structures found in the catalog.

Searching for angular patterns in files of three-dimensional chemical structures

Andrew R. Poirrette

Searching for angular patterns in files of three-dimensional chemical structures

  • 259 Want to read
  • 3 Currently reading

Published by Dept. of Information Studies, University of Sheffield in Sheffield .
Written in English

    Subjects:
  • Chemical structure -- Databases.,
  • Database searching.,
  • Three-dimensional display systems.

  • Edition Notes

    StatementAndrew R. Poirrette and Peter Willett, Frank H. Allen.
    SeriesReport no. 6065., British Library research & development reports ;, rept. no. 6065.
    ContributionsWillett, Peter, 1953-, Allen, Frank H., British Library. Research and Development Dept.
    Classifications
    LC ClassificationsQD471, Microfiche 2502, no. 6065 (Q)
    The Physical Object
    FormatMicroform
    Paginationiv, 81 leaves
    Number of Pages81
    ID Numbers
    Open LibraryOL1050917M
    LC Control Number93630145

    Carbon - Carbon - Structure of carbon allotropes: When an element exists in more than one crystalline form, those forms are called allotropes; the two most common allotropes of carbon are diamond and graphite. The crystal structure of diamond is an infinite three-dimensional array of carbon atoms, each of which forms a structure in which each of the bonds makes equal angles with its neighbours.   Transparent wearable three-dimensional touch by self-generated multiscale structure where all reagents are dumped into a tri-angular flask at once to prevent the thermal chemical reaction Cited by: 5.   Making a three-dimensional chemical pattern and maintaining it long enough is not so easy. Previous microfluidic methods only allowed for the generation of two-dimensional patterns .


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Searching for angular patterns in files of three-dimensional chemical structures by Andrew R. Poirrette Download PDF EPUB FB2

Similarity Searching in Files of Three-Dimensional Chemical Structures: Evaluation of the EVA Descriptor and Combination of Rankings Using Data Fusion. Journal of Chemical Information and Computer Sciences37 (1), Cited by: Searching for angular patterns in files of three-dimensional chemical structures By A.R.

Poirrette, P. Willett, F.H Allen, London (United Kingdom). Research and Development Dept. British Library and Sheffield Univ. (United Kingdom). Abstract. This paper discusses techniques for chemical substructure searching in files of three-dimensional (3-D) chemical structures.

A methodology is presented for the selection of search screens which are based upon interatomic distance information, the use of these screens on a file of 3-D chemical structures taken from Cited by: 5.

Full Structure Search. Substructure Search Basic Ideas. Backtracking Algorithm. Optimization of the Backtracking Algorithm.

Screening. Similarity Search Similarity Basics. Similarity Measures. The Similarity Search Process. Three‐Dimensional Structure Search Methods. Pharmacophoric pattern matching in files of three-dimensional chemical structures: Implementation of flexible searching David E.

dark and Peter Willett Krebs Institute for Biomolec ular Research and Department of Information Studies, University of Sheffield, Sheffield, UK Peter W. Kenny Zeneca Pharmaceuticals, Cheshire, UK The conformational space of a flexible three-dimensional (3D) Cited by: Search targets based on these substructures were used to query several large databases of three-dimensional structures to identify small molecule structures with the potential to inhibit HIV Pharmacophoric pattern matching in files of three-dimensional chemical structures: Use of smoothed bounded distances for incompletely specified query patterns David E.

dark and Peter Willett Department of Information Studies, University of Sheffield, Western Bank, Sheffield, UK Peter W. Kenny /C7 Pharmaceuticals, Mereside, Alderley Park, Macclesfield, Cheshire, UK This paper describes a technique for increasing the screen- out of pharmacophoric pattern searches in Cited by: The medicinal chemist has long known that modifying a drug’s chemical structure may cause modified biologic response.

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Bulletin of the Chemical Society of Japan70 (1), DOI: /bcsj Peter Willett. Searching for pharmacophoric patterns in databases of three-dimensional chemical by: The purpose of this publication is to summarize the computational methods that are used in many modern computer programs for the seismic analysis of three-dimensional structural systems.

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