DRPMKB1.0: A Comprehensive Knowledge Base for an AI-Oriented Drug Repositioning Prediction Model

Abstract

Drug repositioning (DR) reduces the risks and costs of drug development by identifying new uses for approved drugs. The rapid growth of artificial intelligence (AI) has led to many computational models. However, without effective integration, excess models can waste resources and obscure valuable ones. While large language models (LLMs) are preferred for their broad applicability, integrating them with a personalized knowledge base improves task-specific accuracy. Thus, we developed the AI-oriented drug repositioning prediction model knowledge base (DRPMKB 1.0). This knowledge base compiles data from PubMed up to March 2024, covering two interfaces (display and interaction) and four dimensions (data, model, application, and reference). It includes 45 categories, 193 models, and 693 data entries, offering a comprehensive data sharing platform for DR. DRPMKB 1.0 establishes a dual-evaluation framework to standardize model selection, appraising both inherent model quality and the evidentiary support for its predictions. DRPMKB 1.0 integrates diverse data and models for personalized DR, offering tailored model recommendations based on user data, improving prediction accuracy. DRPMKB 1.0 also offers a foundation for developers to integrate models and data sets seamlessly. The knowledge base supports AI enhancement through a knowledge base for continuous model refinement.

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