智慧型機器學習與電腦輔助藥物設計

Intelligent Machine Learning and Computer-aided Drug Design

學期

114-2

學分

3 學分

當期課號

430103

永久課號

BTBI30028

開課單位

生物資訊及系統生物研究所

授課教師

楊進木

校區

博愛

類別

選修

上課時間表

* 根據陽明交大上課時間表所列

概述

Studying the concepts, tools, algorithms, scoring functions of computation systems biology and drug design.

先修科目

None

教學方式

Public databases, tools, and website.

評分方式

Homework (40%) Progress report or paper report Final project (40%) Examination: 20%

週次計畫

週次	主題
第 1 週	Course Outlines
第 2 週	Introduction to Drug Design & AI
第 3 週	Introduction to Structure-based Virtual screening
第 4 週	Protein analysis : Sequence analysis and structure analysis Compound analysis:
第 5 週	Evolutionary algorithm (genetic algorithm) for molecular docking
第 6 週	Post-screening analysis
第 7 週	Large language model (LLM): Transformer
第 8 週	LLM for Protein GPT (Generative Pretrain Transformer)
第 9 週	LLM for compound GPT (Generative Pretrain Transformer)
第 10 週	GCN (Graph Convolutional Network) for Drug Design
第 11 週	Deep Learning (DNN) for Drug Design
第 12 週	Diffusion model for drug design
第 13 週	Generative AI for Drug Design
第 14 週	Generative AI for Drug Design
第 15 週	Generative AI for Drug Design
第 16 週	Final project report/examination

教科書

Selected papers for each topics

Office Hours