AI modeling transforms drug development from a numbers game of screening millions of compounds to an engineering discipline. Researchers can model molecular systems upfront, understand key parameters, and design solutions for a specific problem, turning a costly screening process into a rapid, targeted design cycle.

Unlike traditional methods that simulate physical interactions like a key in a lock, ProPhet's AI learns the fundamental patterns governing why certain molecules and proteins interact. This allows for prediction without needing slow, expensive, and often impossible physical or computational simulations.

ProPhet's CEO notes his conviction in AI wasn't a sudden breakthrough. Instead, it was a growing understanding that machine learning's ability to handle noisy, incomplete data at scale directly solves the primary bottlenecks of traditional pharmaceutical research.

Martin Shkreli argues that the primary bottleneck in drug development isn't finding new molecules, but the immense inefficiency caused by poor communication, irrational decision-making, and misaligned incentives across numerous human departments. He believes AI's greatest contribution will be optimizing this complex organizational process rather than just improving discovery.

In high-stakes fields like pharma, AI's ability to generate more ideas (e.g., drug targets) is less valuable than its ability to aid in decision-making. Physical constraints on experimentation mean you can't test everything. The real need is for tools that help humans evaluate, prioritize, and gain conviction on a few key bets.

Large pharma companies are discovering that implementing AI to solve one part of the drug development workflow, like target discovery, creates new bottlenecks downstream. The subsequent, non-optimized stages become overwhelmed, highlighting the need for a holistic, fully choreographed approach to AI adoption across the entire R&D pipeline.

While AI can accelerate the ideation phase of drug discovery, the primary bottleneck remains the slow, expensive, and human-dependent clinical trial process. We are already "drowning in good ideas," so generating more with AI doesn't solve the fundamental constraint of testing them.

Despite scientific breakthroughs and better technology, the cost per approved drug has steadily increased over the last 60 years. This phenomenon, the reverse of Moore's Law, is called Eroom's Law and highlights a fundamental productivity problem in the biopharma industry, with costs approaching $1B+ per successful drug.

Despite AI's power, 90% of drugs fail in clinical trials. John Jumper argues the bottleneck isn't finding molecules that target proteins, but our fundamental lack of understanding of disease causality, like with Alzheimer's, which is a biology problem, not a technology one.