Department of Computer Information Systems, University of North Alabama, Florence, Alabama 35632, USA.
J Chem Inf Model. 2010 Sep 27;50(9):1751-6. doi: 10.1021/ci100061d.
This article presents software applications that have been built upon a modular, open-source, reaction mapping library that can be used in both cheminformatics and bioinformatics research. We first describe the theoretical underpinnings and modular architecture of the core software library. We then describe two applications that have been built upon that core. The first is a generic reaction viewer and mapper, and the second classifies reactions according to rules that can be modified by end users with little or no programming skills.
本文介绍了基于模块化、开源反应映射库的软件应用程序，可用于化学信息学和生物信息学研究。我们首先描述了核心软件库的理论基础和模块化架构。然后描述了两个基于该核心构建的应用程序。第一个是通用的反应查看器和映射器，第二个根据可以由具有很少或没有编程技能的最终用户修改的规则对反应进行分类。
