图 书 馆
基于核的药物蛋白结合亲和力预测模型Kernel-based predictive modelling of drug-protein binding affinities |
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| 课程网址: | http://videolectures.net/icgeb_cichonska_protein_binding_affiniti... |
| 主讲教师: | Anna Cichonska |
| 开课单位: | 阿尔托大学 |
| 开课时间: | 2019-09-19 |
| 课程语种: | 英语 |
| 中文简介: |  |
| 课程简介: | Despite several years of target-based drug discovery, chemical agents inhibiting single targets are still rare. Mapping the complete protein target space of drugs and drug-like compounds, including both intended “primary targets” as well as secondary “off-targets”, is therefore a critical part of drug discovery efforts. Such a map would enable one not only to explore the therapeutic potential of chemical agents but also to better predict and manage their possible adverse effects prior to clinical trials. However, the massive size of the chemical universe makes experimental bioactivity mapping of the full space of compound-target interactions quickly infeasible in practice, even with the modern high-throughput profiling assays. Machine learning methods provide a cost-effective and complementary approach to experimental drug bioactivity profiling, allowing for prioritization of the most potent drug candidates and protein target interactions for further verification in the laboratory. Recently, especially kernel-based methods have received significant attention in pharmacology offering, among others, the advantage of computationally efficient modelling of the nonlinearities between chemical and protein features and drug bioactivity profiles. This lecture will introduce the concept of kernel learning and demonstrate how kernels can be used to model drug-protein interactions. We will focus on quantitative binding affinity prediction in order to fully characterize the activity spectrum of a drug. At the end of the lecture, we will also go through the summary of the results from the Illuminating the Druggable Genome (IDG)-DREAM Drug-Kinase Binding Prediction Challenge. |
| 关 键 词: | 基于核的药物蛋白结合; 数据科学; 亲和力预测模型; 基于靶点的药物 |
| 课程来源: | 视频讲座网 |
| 数据采集: | 2022-10-14：cyh |
| 最后编审: | 2022-10-14：cyh |
| 阅读次数: | 26 |