Category: AI and machine learning

Why protein structure databases remain critical infrastructure for AI-driven drug discovery

How automated protein structure analysis can uncover hidden conformations and transform drug discovery.

A glimpse into the future of AI and structure-based drug discovery

Why the future of structure-based drug discovery depends on better benchmarking for pose and activity prediction.

Artificial intelligence is rapidly redefining what’s possible in ligand design. In this article, we explore recent breakthroughs in AI in drug discovery and computational chemistry

How advances in machine learning and AI are shaping the future of drug development by solving the scoring challenge.