摘要
计算机辅助药物设计(CADD)是一门多学科交叉的边缘学科,在新药研发,特别是在先导化合物的发现和优化过程中发挥着越来越重要的作用。Catalyst是一种基于药效团模型的综合性药物开发软件。本文着重介绍了Catalyst软件的基本功能及其在新药筛选中的应用。
Computer-aided drug design（CADD） is a frontier science involving more than one subject and playing a more and more important role during new drug research and development,especially in the discovery and opti-mization of leading compounds.The Catalyst software is a comprehensive solution for pharmacophore modeling and 3D database management.Its basic functions and applications in drug research are mainly described.
出处
《北京联合大学学报》
CAS
2011年第1期28-33,共6页
Journal of Beijing Union University
