Artificial Intelligence Medical Compendium

Explore the latest research on artificial intelligence and machine learning in medicine.

Showing 31,981 to 31,990 of 220,797 articles

Integrating DFT and Machine Learning for Mechanistic Elucidation and Catalyst Optimization in DAP-Catalyzed Asymmetric Aza-Mislow-Evans Reactions.

The journal of physical chemistry letters
We report a data-driven framework that integrates density functional theory (DFT) with machine learning (ML) to elucidate the reaction mechanism and guide catalyst optimization in the DAP-catalyzed reductive asymmetric aza-Mislow-Evans reaction. DFT ... read more 

An interpretable machine learning tool for rheumatoid arthritis screening: integrating novel cellular morphological parameters with routine blood count indices.

Clinical rheumatology
BACKGROUND: Rheumatoid arthritis (RA) is a chronic autoimmune disease that can cause significant disability. Early detection is vital for improving outcomes, but current diagnostic methods are costly and lack accessibility for wide-scale screening. W... read more 

Rethinking MS Therapeutics: From Disease Pathogenesis Mechanisms to AI-Driven Drug Discovery.

Journal of neuroimmune pharmacology : the official journal of the Society on NeuroImmune Pharmacology
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Construction of a multi-label odor prediction model based on molecular structures and olfactory receptor binding profiles with a novel interpretability framework.

Analytical sciences : the international journal of the Japan Society for Analytical Chemistry
Predicting odors from molecular structures is a long-standing challenge in chemoinformatics, especially in cases where structurally similar compounds, such as optical isomers, exhibit distinct odor perceptions. To address this, we developed a multi-s... read more 

Interpretable prediction of occult lymph node metastasis in pancreatic ductal adenocarcinoma using a model fusing habitat radiomics and deep learning.

Abdominal radiology (New York)
PURPOSE: To evaluate the value of integrating habitat radiomics features and deep learning features for predicting occult lymph node metastasis (OLNM) in pancreatic ductal adenocarcinoma (PDAC). METHODS: Data from 212 eligible PDAC patients across tw... read more 

In-hospital outcomes and cost-effectiveness of transcatheter aortic valve replacement among younger patients: a double/debiased machine learning approach using electronic health records in Germany.

Clinical research in cardiology : official journal of the German Cardiac Society
BACKGROUND: The prevalence of severe symptomatic aortic stenosis is increasing with population aging. Although surgical aortic valve replacement (SAVR) has traditionally been the standard treatment, transfemoral transcatheter aortic valve replacement... read more 

HopWD-DTA: a novel framework for drug-target affinity prediction fusing multi-hop neighborhoods and deep features.

Journal of molecular modeling
CONTEXT: Accurate prediction of drug-target affinity (DTA) is crucial for accelerating drug discovery, but it remains a significant challenge. While deep learning methods have shown promise, many existing models struggle with representing long-range ... read more