Advanced Experiment Design Strategies for Drug Development
Advanced Intelligent Discovery, EarlyView.Wang et al. analyze 592 drug development studies published between 2020 and 2024 that applied design of experiments methodologies. The review surveys both classical and emerging approaches—including Bayesian optimization and active learning—and identifies a critical gap between advanced experimental strategies and their practical adoption in ...
Fanjin Wang +3 more
wiley +1 more source
Retrieval Augmented Generation (RAG) for Evaluating Regulatory Compliance of Drug Information and Clinical Trial Protocols. [PDF]
CPT Pharmacometrics Syst PharmacolWaikar S, Bhat AG, Ramanathan M.
europepmc +1 more source
Evaluating Retrieval Quality in Retrieval-Augmented Generation
Evaluating retrieval-augmented generation (RAG) presents challenges, particularly for retrieval models within these systems. Traditional end-to-end evaluation methods are computationally expensive.
Zamani, Hamed, Salemi, Alireza
core
Advanced Intelligent Discovery, EarlyView.This perspective highlights how knowledge‐guided artificial intelligence can address key challenges in manufacturing inverse design, including high‐dimensional search spaces, limited data, and process constraints. It focused on three complementary pillars—expert‐guided problem definition, physics‐informed machine learning, and large language model ...
Hugon Lee +3 more
wiley +1 more source
A dual-mode large language model assistant for on-surface reactions <i>via</i> fine-tuning and retrieval-augmented generation. [PDF]
Chem SciXiang J +7 more
europepmc +1 more source
Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion
Advanced Intelligent Discovery, EarlyView.This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia +1 more
wiley +1 more source
Multi-Evidence Clinical Reasoning With Retrieval-Augmented Generation for Emergency Triage: Retrospective Evaluation Study. [PDF]
JMIR Med InformWong HS, Wong TK.
europepmc +1 more source
Automating AI Discovery for Biomedicine Through Knowledge Graphs and Large Language Models Agents
Advanced Intelligent Discovery, EarlyView.This work proposes a novel framework that automates biomedical discovery by integrating knowledge graphs with multiagent large language models. A biologically aligned graph exploration strategy identifies hidden pathways between biomedical entities, and specialized agents use this pathway to iteratively design AI predictors and wet‐lab validation ...
Naafey Aamer +3 more
wiley +1 more source
Korean Medical Consultation With Open-Weight Large Language Models: Pilot Comparative Evaluation of Retrieval-Augmented Generation With Metadata Filtering. [PDF]
JMIR Form ResChoi S +8 more
europepmc +1 more source
LLM‐Based Scientific Assistants for Knowledge Extraction: Which Design Choices Matter?
Advanced Intelligent Discovery, EarlyView.A comprehensive framework for optimizing Large Language Models in domain‐specific applications is introduced. The LLM Playground integrates Prompt Engineering, knowledge augmentation, and advanced reasoning strategies to enable systematic comparison of architectures and base models.
David Exler +7 more
wiley +1 more source