摘要
本化学信息学开放实验设计了一系列与分子有关的读写、分析、修改任务。学生在编程完成任务的过程中需将程序设计课程里学习到的数据结构与算法同熟悉的化学理论结合,利用计算机去解决与分子有关的具体问题。通过教师的讲解与自身的实践,参与学生能逐步了解计算机分子结构表征的理论与方法,掌握基础的分子信息编程技能。教学经验也表明,普通化学专业的学生能够独立完成主要的实验任务,并在实验过程中对化学信息学本身产生较浓厚的兴趣。
An open experiment focusing on the programming of molecular information is introduced in this article.In the experiment,the students need to complete a series of molecular programming tasks involving molecule input,output,analysis and modification.The data structure and algorithm knowledge learned from the students’programming courses are also utilized and practiced in those tasks.After the experiment,the participators are able to grasp the basic principles and methods to represent molecular structures in computer,and generate stronger interest in cheminformatics.
作者
江辰
陈明
JIANG Chen;CHEN Ming(Department of Chemistry,China Pharmaceutical University,Nanjing 210009,China)
出处
《化学教育（中英文）》
CAS
北大核心
2021年第6期97-101,共5页
Chinese Journal of Chemical Education
关键词
开放实验
化学信息学
分子信息
编程
open experiment
cheminformatics
molecular information
programming
