Chemical Structure Recognition: A Rule Based Approach

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Chemical Structure Recognition: A Rule Based Approach. / Sadawi, Noureddin; Sexton, Alan; Sorge, Volker.

In: Proceedings of SPIE - The International Society for Optical Engineering, Vol. 8297, 82970E, 01.01.2012.

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@article{ebf07f9c00b54f008643cf28b3009e06,
title = "Chemical Structure Recognition: A Rule Based Approach",
abstract = "In chemical literature much information is given in the form of diagrams depicting molecules. In order to access this information diagrams have to be recognised and translated into a processable format. We present an approach that models the principal recognition steps for molecule diagrams in a strictly rule based system, providing rules to identify the main components - atoms and bonds - as well as to resolve possible ambiguities. The result of the process is a translation into a graph representation that can be used for further processing. We show the effectiveness of our approach by describing its embedding into a full recognition system and present an experimental evaluation that demonstrates how our current implementation outperforms the leading open source system currently available.",
keywords = "Chemical molecule recognition, diagram recognition",
author = "Noureddin Sadawi and Alan Sexton and Volker Sorge",
year = "2012",
month = "1",
day = "1",
doi = "10.1117/12.912185",
language = "English",
volume = "8297",
journal = "Proceedings of SPIE - The International Society for Optical Engineering",
issn = "0277-786X",
publisher = "Society of Photo-Optical Instrumentation Engineers",

}

RIS

TY - JOUR

T1 - Chemical Structure Recognition: A Rule Based Approach

AU - Sadawi, Noureddin

AU - Sexton, Alan

AU - Sorge, Volker

PY - 2012/1/1

Y1 - 2012/1/1

N2 - In chemical literature much information is given in the form of diagrams depicting molecules. In order to access this information diagrams have to be recognised and translated into a processable format. We present an approach that models the principal recognition steps for molecule diagrams in a strictly rule based system, providing rules to identify the main components - atoms and bonds - as well as to resolve possible ambiguities. The result of the process is a translation into a graph representation that can be used for further processing. We show the effectiveness of our approach by describing its embedding into a full recognition system and present an experimental evaluation that demonstrates how our current implementation outperforms the leading open source system currently available.

AB - In chemical literature much information is given in the form of diagrams depicting molecules. In order to access this information diagrams have to be recognised and translated into a processable format. We present an approach that models the principal recognition steps for molecule diagrams in a strictly rule based system, providing rules to identify the main components - atoms and bonds - as well as to resolve possible ambiguities. The result of the process is a translation into a graph representation that can be used for further processing. We show the effectiveness of our approach by describing its embedding into a full recognition system and present an experimental evaluation that demonstrates how our current implementation outperforms the leading open source system currently available.

KW - Chemical molecule recognition

KW - diagram recognition

U2 - 10.1117/12.912185

DO - 10.1117/12.912185

M3 - Article

VL - 8297

JO - Proceedings of SPIE - The International Society for Optical Engineering

JF - Proceedings of SPIE - The International Society for Optical Engineering

SN - 0277-786X

M1 - 82970E

ER -