Next Article in Journal
Identification of Two Polysaccharides from Prunella vulgaris L. and Evaluation on Their Anti-Lung Adenocarcinoma Activity
Previous Article in Journal
The Protective Effects of the Active Fraction of Shaofu Zhuyu Decoction on Hydrogen Peroxide-Induced Oxidative Injury in Vascular Smooth Muscle Cells
Article Menu

Article Versions

Export Article

Open AccessArticle
Molecules 2010, 15(8), 5079-5092; doi: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
Download 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 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).

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

SciFeed 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.

Show more citation formats Show less citations formats

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]

Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top