Molecules 2010, 15(8), 5079-5092; https://doi.org/10.3390/molecules15085079
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
Received: 9 July 2010 / Revised: 22 July 2010 / Accepted: 26 July 2010 / Published: 27 July 2010
PDF [248 KB, uploaded 18 June 2014]
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
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).
Share & 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.
Related Articles
Article Metrics
Comments
[Return to top]
Molecules
EISSN 1420-3049
Published by MDPI AG, Basel, Switzerland
RSS
E-Mail Table of Contents Alert