Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

A team led by Guoyin Yin at Wuhan University and the Shanghai Artificial Intelligence Laboratory recently proposed a modular machine learning ...

The world is awash with news about artificial intelligence tools, including those intended to help chemists. But are the tools useful, a threat, or even worth the attention? It’s hard to know, ...

If penicillin was discovered on moldy bread, who's to say the next miracle drug won't be born from AI hallucinations Nvidia has teamed up with pharmaceutical heavyweight Eli Lilly to plow up to $1 ...

Researchers develop an AI-based platform that integrates reaction data with catalyst performance for the design of new ...

The Boston-based computational chemistry start-up Rowan Scientific has secured $2.1 million in preseed funding from investors including Pillar VC and AI Grant. The firm was formed last year by ...

Cambridge, Massachusetts, January 14, 2025 - Insilico Medicine (“Insilico”, HKEX:03696), a clinical-stage biotechnology company driven by generative artificial intelligence (AI), today announced the ...

Computational chemistry has evolved into a cornerstone of modern chemical research, bridging stringent quantum mechanical principles with practical numerical simulations to predict and elucidate ...