Retrosynthetic planning occupies a crucial position in synthetic chemistry and, accordingly, drug discovery, which aims to find synthetic pathways of a target molecule through a sequential decision-making process on a set of feasible reactions.

In density functional theory, the charge density is the core attribute of atomic systems from which all chemical properties can be derived.

To address this, we leverage parametric modular structure to learn component-level surrogates, enabling cheaper high-fidelity simulation. We use a neural network to model the stored potential energy in a component given boundary conditions.

Every day, 50,000 mattresses are tossed in the trash in the United States. A relative of penicillin could be the cure. Breakthroughs, discoveries, and DIY tips sent six days a week. Shopping for a new mattress can be stressful--this is something you plan to sleep on for years to come, after all. But your old one can be its own problem for the environment .

Wild fluctuations in the price of gold continued on Wednesday as geopolitical tensions reignited after the US downed an Iranian drone . The precious metal, which is seen as a so-called safe haven for investors in times of uncertainty, shot back above $5,000 (£3,650) an ounce following days of sharp falls. Gold prices had been propelled to record highs by rapid changes in US trade policy, ongoing geopolitical uncertainty and conflict and central banks increasing their purchases of bullion. Wednesday's jump, to $5,061 per ounce, left the price of gold around 80% higher than the same time a year ago. A US military spokesman confirmed the Iranian drone had been shot down after it aggressively approached an American aircraft carrier in the Arabian Sea. Tehran has not commented on Tuesday's incident.

In a pine forest on Michigan's Upper Peninsula, the only active nickel mine in the US is nearing the end of its life. At a time when carmakers want the metal for electric-vehicle batteries, nickel concentration at Eagle Mine is falling and could soon drop too low to warrant digging. Demand for nickel, copper, and rare earth elements is rapidly increasing amid the explosive growth of metal-intensive data centers, electric cars, and renewable energy projects. But producing these metals is becoming harder and more expensive because miners have already exploited the best resources. Here's how biotechnology could help . What we've been getting wrong about AI's truth crisis What would it take to convince you that the era of truth decay we were long warned about--where AI content dupes us, shapes our beliefs even when we catch the lie, and erodes societal trust in the process--is now here?