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, Althanstraße 14, A-1090 Vienna, Austria
Molecules 2010, 15(8), 5079-5092; https://doi.org/10.3390/molecules15085079
Received: 9 July 2010 / Revised: 22 July 2010 / Accepted: 26 July 2010 / Published: 27 July 2010
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.
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Keywords:
open-source; checkmol; matchmol; functional groups; structure databases
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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.
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