Functionality Pattern Matching as an Efficient Complementary Structure/Reaction Search Tool: an Open-Source Approach

doi:10.3390/molecules15085079

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Molecules 2010, 15(8), 5079-5092; doi:10.3390/molecules15085079

Article

Functionality Pattern Matching as an Efficient Complementary Structure/Reaction Search Tool: an Open-Source Approach

Norbert Haider

Department of Drug and Natural Product Synthesis, University of Vienna, Althanstraße 14, A-1090 Vienna, Austria

Received: 9 July 2010; in revised form: 22 July 2010 / Accepted: 26 July 2010 / Published: 27 July 2010

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Abstract: An open-source software package for creating and operating web-based structure and/or reaction databases is presented. Besides standard search capabilities (text, structure/substructure/similarity), the system offers a fast additional search option, entirely based on binary pattern matching, which uses automatically assigned functional group descriptors.

Keywords: open-source; checkmol; matchmol; functional groups; structure databases

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Cite This Article

MDPI and ACS Style

Haider, N. Functionality Pattern Matching as an Efficient Complementary Structure/Reaction Search Tool: an Open-Source Approach. Molecules 2010, 15, 5079-5092.

AMA Style

Haider N. Functionality Pattern Matching as an Efficient Complementary Structure/Reaction Search Tool: an Open-Source Approach. Molecules. 2010; 15(8):5079-5092.

Chicago/Turabian Style

Haider, Norbert. 2010. "Functionality Pattern Matching as an Efficient Complementary Structure/Reaction Search Tool: an Open-Source Approach." Molecules 15, no. 8: 5079-5092.

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