The article discusses how DeepMind is speeding up the discovery of new antimicrobial peptides by employing Google Antigravity for Science. It highlights the use of this technology to accelerate the search process for novel peptides that could combat microbial threats.
OpenAI and Molecule. one show how a near-autonomous AI chemist using GPT-5.
Connor Coley works at the interface of chemistry and machine learning, to discover and design new drug compounds.
By Anne Trafton | MIT News
arXiv:2608. 11483v1 Announce Type: new Abstract: Hit-to-lead optimization requires iterative design of hit analogs across competing potency, selectivity, physicochemical, pharmacokinetic, safety, and synthetic constraints.
By Kelvin P. Idanwekhai, Enes Kelestemur, Benjamin Strickland, Matthew Hart, Steini Davidsson, Angelos Angelopoulos, Ron Alterovitz, Marcello DeLuca, Alexander Tropsha
Molecular science represents an important frontier for LLM-based agents. Unlike general agents that mainly operate over natural language, code, or web environments, molecular LLM agents must perceive,...
arXiv:2610.16975v1 Announce Type: new
Abstract: Drug discovery remains a resource-intensive and time-consuming process, involving billions of dollars and a decade of development to advance a drug to...
By Ye Liu, Reza Averly, Avery Meyer, Frazier N. Baker, Ruoxi Gao, Daniel Adu-Ampratwum, Xia Ning