Revolutionizing Healthcare: A Comprehensive Journey through AI-Driven Drug Discovery

Neural pAi

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29 min read

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Feb 27, 2025

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TABLE OF CONTENTS

1. PART I
   1.1 Introduction to AI-Driven Drug Discovery
   1.2 Historical Context and Evolution of Drug Discovery
   1.3 Overview of the Traditional Drug Discovery Pipeline
   1.4 The Promise of AI in Modern Drug Discovery
   1.5 Key Terminologies and Concepts
   1.6 Fundamental Challenges in Drug Discovery
   1.7 Conclusion of Part I
2. PART II
   2.1 Data Types and Data Ingestion in AI-Driven Drug Discovery
   2.2 Data Storage, Management, and Quality Control
   2.3 Core Machine Learning Techniques for Drug Discovery
   2.4 Deep Learning Approaches: CNNs, RNNs, Transformers, and GNNs
   2.5 NLP in Drug Discovery: Text Mining and Literature Analysis
   2.6 Examples of AI-Assisted Molecular Generation
   2.7 Conclusion of Part II
3. PART III
   3.1 The End-to-End AI Pipeline: Architecture and Components
   3.2 Diagram: High-Level System Architecture
   3.3 Detailed Walkthrough of the Architecture
   3.4 Orchestration, Workflow Management, and Cloud Infrastructure
   3.5 Example Source Code Snippets for Key Pipeline Stages
   3.6 Handling Large-Scale Data and Parallel Processing
   3.7 Conclusion of Part III
4. PART IV
   4.1 Integrating AI in Clinical Trials: Patient Selection and Outcome Prediction
   4.2 Adverse Drug Reaction (ADR) Prediction and Pharmacovigilance
   4.3…