图 书 馆
用字符串和图表学习图表化学空间：人工智能和机器学习的挑战和机遇Learning and Charting Chemical Space with Strings and Graphs: Challenges and Opportunities for AI and Machine Learning |
|
| 课程网址: | http://videolectures.net/mlg07_baldi_laccs/ |
| 主讲教师: | Pierre Baldi |
| 开课单位: | 加利福尼亚大学 |
| 开课时间: | 2007-08-27 |
| 课程语种: | 英语 |
| 中文简介: |  |
| 课程简介: | Informatics methods and computers have not yet become as pervasive in chemistry as they have in physics and biology. Drawing analogies from bioinformatics, key ingredients for progress in chemoinformatics are the availability of large, annotated databases of compounds and reactions, data structures and algorithms to efficiently search these databases, and computational methods to predict the physical, chemical, and biological properties of new compounds and reactions. We will describe how graph-based methods play a key role in the development of: (1) a large public database of compounds and reactions (ChemDB) and the underlying algorithms and representations; (2) machine learning kernel methods to predict molecular properties; and (3) the applications of these methods to drug screening/design problems and the identification of new drug leads against a major disease. |
| 关 键 词: | 信息学方法; 机器学习内核; 大型公共数据库 |
| 课程来源: | 视频讲座网 |
| 最后编审: | 2020-05-29：吴雨秋(课程编辑志愿者) |
| 阅读次数: | 34 |