The cleverer I am about miniaturizing the world, the better I am at possessing it.” That line of thinking, as practiced in nanoscale engineering, has no stronger embodiment today than ChemLex’s newly ...

Catalysts play an indispensable role in modern manufacturing. More than 80% of all manufactured products, from pharmaceuticals to plastics, rely on catalytic processes at some stage of production.

A group of researchers are launching an open-source database of chemical synthesis procedures that they think will benefit artificial intelligence algorithms for reaction prediction, synthesis ...

"What's the difference between mathematical optimization and machine learning?" This is a question that — as the CEO of a mathematical optimization software company — I get asked all the time.

Jorge Nocedal can’t stop thinking about optimization. Even when gazing at Lake Michigan or lying in bed, he constantly imagines new approaches to new problems in new areas, like deep learning. “I ...

Machine learning is totally overhyped. Machine learning is completely not overhyped. Machine learning is transformative. Machine learning is a tool like any other. Ask 10 chemists what they think ...

Resident data scientist Dr. James McCaffrey of Microsoft Research turns his attention to evolutionary optimization, using a full code download, screenshots and graphics to explain this machine ...