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Tech blog

September 04, 2025

Building a Prototype for One-Click Drug Discovery

We built a prototype end-to-end ML system that demonstrates how drug discovery workflows could be streamlined into a computational workflow.

Starting from a disease name, it identifies relevant biological targets, learns from real bioactivity data, and ranks candidate molecules by predicted activity. While not a tool for finding real drugs without substantial experimental validation, it illustrates how AI can structure and accelerate the discovery process.

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