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

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

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 u...

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Bibliographic Details
Main Author: Norbert Haider
Format: Article
Language:English
Published: MDPI AG 2010-07-01
Series:Molecules
Subjects:
open-source
checkmol
matchmol
functional groups
structure databases
Online Access:http://www.mdpi.com/1420-3049/15/8/5079/
Description
Summary: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.
ISSN:1420-3049

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