arXiv:2606. 19245v1 Announce Type: new Abstract: Artificial intelligence (AI) agents promise to accelerate drug discovery by compressing interpretation and decision-making loops, but practical deployment requires trusted evaluation on realistic program decisions.
By Hannah Le, Ramesh Ramasamy, Alex Urrutia, Mahsa Yazdani, Tim Proctor, Kenny Workman
La Agente ’Optima is an agentic framework that builds and manages Bayesian optimization campaigns for self‑driving laboratories, separating large language model reasoning from campaign execution. It maintains a persistent optimization state, allowing consistent repetitive loops and auditable decisions, and only returns control to the agent when interpretation or revision is needed. In tests on digital discovery tasks and physical platforms, it corrected measurement failures, improved yields, and recommended formulation changes, outperforming human‑directed campaigns in cost and material usage.
By Marcel M\"uller, Jiaru Bai, Willi Gottstein, Abhijoy Mandal, Mohammad Nazeri, Elia Savino, Yanlin Fang, Sujoy Das, Sergio Pablo Garc\'ia Carrillo, Yeonghun Kang, Juan B. P\'erez-S\'anchez, Simone Pilon, Martin Fitzner, Timothy No\"el, Frank Gu, Varinia Bernales, Al\'an Aspuru-Guzik
arXiv:2609.21859v1 Announce Type: new
Abstract: Nearly 90% of drugs entering clinical development ultimately fail, despite billions of dollars in investment. Pharmaceutical companies therefore rely o...
By Jiacheng Lin, Zifeng Wang, Zheng Chen, Erick Scott, Ziwei Yang, Fanyang Yu, Sheng Zhong, Jimeng Sun
arXiv:2606. 28362v1 Announce Type: cross Abstract: Systematic reviews and meta-analyses (SR/MA) remain the gold standard for evidence synthesis, yet completing one typically requires 67 weeks and substantial expert effort.
By Yen-Hsun Huang (Department of Education, Taipei Veterans General Hospital, Taipei, Taiwan), Yu-Shiou Lin (Department of Psychiatry, Taipei Veterans General Hospital, Taipei, Taiwan)
arXiv:2606. 00555v1 Announce Type: new Abstract: Structure-based drug design increasingly employs LLM agents to iteratively refine ligands against a target pocket, yet a viable ligand must satisfy two often-conflicting objectives -- binding affinity and druggability -- which single optimization steps rarely improve together.
By Zaifei Yang, Weiyu Chen, Yaqing Wang, James Kwok
GxP-Agent is a multi‑agent system that transforms clinical trial protocols into CDISC‑compliant datasets by encoding the regulatory workflow as a directed acyclic graph (DAG). Each node in the DAG represents a domain‑specific task executed by a worker agent with specialized skill context, validation gates, and conditional retry logic. On the CDISC‑Bench benchmark, GxP-Agent with Claude Sonnet 4.6 achieved a perfect 100 % structural match for 49 variables across 254 records, outperforming single‑agent and flat multi‑agent baselines and enabling weaker models like GPT‑4.1 to reach 59.2 % under the same DAG.
By Jaime Yan