Department of Pathology and Immunology, Washington University School of Medicine, Campus Box 1097, Whitaker Hall, St. Louis, MO 63130, USA.
Bioinformatics. 2013 Oct 15;29(20):2655-6. doi: 10.1093/bioinformatics/btt448. Epub 2013 Aug 5.
Scaffold network generator (SNG) is an open-source command-line utility that computes the hierarchical network of scaffolds that define a large set of input molecules. Scaffold networks are useful for visualizing, analysing and understanding the chemical data that is increasingly available through large public repositories like PubChem. For example, some groups have used scaffold networks to identify missed-actives in high-throughput screens of small molecules with bioassays. Substantially improving on existing software, SNG is robust enough to work on millions of molecules at a time with a simple command-line interface.
SNG is accessible at http://swami.wustl.edu/sng
支架网络生成器（Scaffold Network Generator，SNG）是一个开源的命令行实用程序，用于计算定义大型分子集合的支架的层次网络。支架网络对于可视化、分析和理解越来越多的公共存储库（如 PubChem）中提供的化学数据非常有用。例如，一些小组已经使用支架网络来识别生物测定高通量筛选中小分子中的漏靶化合物。SNG 在现有软件的基础上进行了实质性的改进，它具有足够的鲁棒性，可以通过简单的命令行界面同时处理数百万个分子。
SNG 可在 http://swami.wustl.edu/sng 访问
