基于CiteSpace的国内外CADD领域研究现状与趋势分析

目的 近年来,计算机辅助药物设计（computer aided drug design,CADD）发展迅速,受到了中外学者和医药界的广泛关注。系统了解CADD领域的发展进程,对科研人员和药物研发机构的研究方向和工作开展具有十分重要的指导意义和参考价值。方法 以中国知网（CNKI）和Web of Science（WOS）数据库作为数据来源,利用可视化工具CiteSpace软件,采用定性与定量相结合的研究方法总结归纳了2010—2022年区间段内发表的CADD文献,绘制科学知识图谱,从研究热点和演进趋势等方面展开分析。结果和结论 研究结果显示,国内外关于CADD研究的侧重点各有不同,加快人工智能算法的实际应用,提高计算机药物设计的效率将成为新的研究方向。

Analysis of research status and trend of CADD research at home and abroad based on CiteSpace

Objective In recent years, the rapid development of Computer Aided Drug Design (CADD) has greatly attracted many scholars and the medicine industry at home and abroad. Investigating the development of CADD systematically has important reference value and guiding significance for the researchers and development institutions in their research direction and work.Methods With the China National Knowledge Infrastructure (CNKI) database and Web of Science (WOS) database taken as the data sources, the literatures of CADD published from 2010 to 2022 were collected and surveyed by using the combination method of qualitative and quantitative analysis through visualization software CiteSpace. Knowledge graphs were drawn and comparatively analyzed from many aspects, namely, research focus and evolution trend. Results and Conclusion The results showed that the researches at home and abroad have different focuses on CADD. Accelerating the practical application of artificial intelligence algorithms and improving the efficiency of CADD will become the new research direction.