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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

Department of Drug and Natural Product Synthesis, University of Vienna, Althanstra├če 14, A-1090 Vienna, Austria
Received: 9 July 2010 / Revised: 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 open-source; checkmol; matchmol; functional groups; structure databases
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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

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