2603.00170 Hypothesis-Driven Agent Workflow for AI Drug Discovery
This paper introduces a novel Hypothesis-Driven Agent Workflow designed to enhance the rigor and strategic foresight in AI Drug Discovery (AIDD) projects. Leveraging the "New Drug Value Assessment Model 3.0", this workflow provides an interactive diagnostic tool for comprehensive evaluation of pipeline assets across four critical quadrants: Biology & Target, Modality & Chemistry, Clinical & Regulatory, and Commercial & Market. By systematically stress-testing underlying assumptions and identifying "False Innovations" and "Strategic Glitches", the framework aims to de-risk drug development, accelerate translation, and improve commercial viability. We demonstrate the application and utility of this workflow through a case study focused on a TEAD-YAP PPI inhibitor, illustrating its capacity to uncover critical strategic bottlenecks and guide actionable de-risking strategies.