Artificial Intelligence Medical Compendium

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

Showing 45,721 to 45,730 of 224,055 articles

Explainable AI for end-to-end pathogen target discovery and molecular design

bioRxiv Mar 2, 2026
Drug discovery is often constrained by target identification, a bottleneck especially acute in antimicrobial development and the fight against emerging fungicide resistance. We present APEX (Attention-based Protein EXplainer), an explainable AI frame... read more 
bioinformatics

GTA-5: A Unified Graph Transformer Framework for Ligands and Protein Binding Sites - Part I: Constructing the PDB Pocket and Ligand Space

bioRxiv Mar 2, 2026
Structural recognition between a protein target and a ligand underpins therapeutic innovation, yet computational representations of protein binding sites and small molecules remain largely disjoint. Here we introduce GTA-5, a unified graph transforme... read more 
bioinformatics

The Combinatorial Capacity and Robustness of Hierarchical Concept Coding in the Human Medial Temporal Lobe

bioRxiv Mar 2, 2026
The human brain encodes a virtually infinite repertoire of semantic concepts using a finite number of neurons, a feat that defies the capacity limits of classical attractor networks. While concept cells in the medial temporal lobe (MTL) exhibit extre... read more 
neuroscience

High Diversity Gene Libraries Facilitate Machine Learning Guided Exploration of Fluorescent Protein Sequence Space

bioRxiv Mar 2, 2026
While protein language models (PLMs) have shown great promise for protein design, their performance is fundamentally constrained by the diversity and completeness of available training data. In particular, PLMs often struggle to extrapolate to sequen... read more 
synthetic biology

EnzySeek: Efficient Exploration of Enzyme Reaction Pathways Using AI Agents

bioRxiv Mar 2, 2026
With the rapid development of Large Language Models (LLMs) and Agent technologies, AI can assist in solving a variety of real-world problems across multiple domains, such as autonomous driving, drug discovery, and materials design. In this work, we p... read more 
biochemistry

In vitro fertilisation procedure assisted with computer vision models for organic Senegalese sole (Solea senegalensis) culture

bioRxiv Mar 2, 2026
Reproductive dysfunction remains a major challenge for Senegalese sole (Solea senegalensis) aquaculture. Hormone-induced ovulation and in vitro fertilisation (IVF) are currently used to overcome the absence of natural courtship behaviours in captivit... read more 
animal behavior and cognition

Multiomic Spatial Imaging Assay (MSIA) -- A High-plex In Situ Detection Method for mRNAs, Proteins, and Protein-Protein Interactions using Manual And Semi-Automated Workflows

bioRxiv Mar 2, 2026
We report Multiomics Spatial Image Analysis (MSIA), a suite of technologies that include streamlined manual and semi-automated workflows to image 100s of RNAs from fresh frozen and formalin-fixed paraffin-embedded (FFPE) samples, contextualize RNAs w... read more 
neuroscience

ToxiVerse: A Public Platform for Chemical Toxicity Data Sharing and Customizable Predictive Modeling

bioRxiv Mar 2, 2026
Chemical toxicity assessment is critical for drug development and environmental safety. Computational models have emerged as a promising alternative to animal testing and now play a significant role in efficiently evaluating new chemicals. To address... read more 
bioinformatics

vToxiNet: a biologically constrained deep learning framework for interpretable prediction of drug-induced hepatotoxicity

bioRxiv Mar 2, 2026
Hepatotoxicity remains a leading cause of drug attrition and post-marketing withdrawal, resulting from diverse and complex toxicity mechanisms. Traditional in vitro models can only capture a limited subset of toxicity pathways, and animal studies fac... read more 
pharmacology and toxicology

ProPrep: An Interactive and Instructional Interface for Proper Protein Preparation with AMBER

bioRxiv Mar 2, 2026
Millions of experimental and AI-predicted protein structures are now available, and the biosynthetic promise of bespoke proteins is increasingly within reach. The functional characterization challenge thus posed cannot be addressed by experimental te... read more 
bioinformatics
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