AIMC Journal:
bioRxiv

Showing 971 to 980 of 4938 articles

Agentic AI for Structural Elucidation and Discovery of Drug Metabolites from Mass Spectrometry Data

bioRxiv
The majority of chemical signals detected in public metabolomics repositories remain structurally undefined. Large language models (LLMs) are probabilistic systems whose capacity to generate outputs beyond their training data, which can cause halluci...

The Gompertz curve for estimating growth rates of Protein Data Bank and protein folds

bioRxiv
The Protein Data Bank (PDB) is an ever-growing, open-access repository of structural data of biological molecules. This international database has been instrumental in the development of artificial intelligence and deep learning models for protein st...

SPEAK: Spatial Prompting with Expert Aligned Knowledge for Tissue Domain Identification in Spatial Transcriptomics

bioRxiv
Spatially resolved transcriptomic (SRT) data requires spatial domain identification to enable tissue microenvironment-specific downstream analyses. Here we present SPEAK (Spatial Prompting with Expert-Aligned Knowledge), a large language model (LLM) ...

EpiESM-GA: Resource-Efficient Protein Foundation Model Features for Equitable B-Cell Epitope Prediction

bioRxiv
Prediction of B-cell epitopes can assist in reducing costly wet-lab screening in vaccine design, diagnostics, and antibody discovery. However, current predictors often suffer from noisy labels, weak generalization, and structure-dependent workflows. ...

Evaluating sequence-to-function deep learning models for ancestry-stratified regulatory variant effect prediction using multi-ancestry blood eQTLs

bioRxiv
Background: Sequence-to-function (S2F) deep learning models are increasingly used to prioritize non-coding regulatory variants, but their behavior across ancestrally diverse populations remains unclear. Because both training data and reference resour...

HALPred-B: Host-Aware Linear B-Cell Epitope Prediction: Challenges, Limitations, and Variability Across Species

bioRxiv
Predicting linear B-cell epitopes is a basic immunoinformatics task that has a direct impact on vaccine design and antibody engineering. Recent advances in machine learning have improved predictive performance, but most existing approaches are traine...

Long-term memory performance optimization via Neural network-based curve fitting in Drosophila

bioRxiv
Long-term memory (LTM) formation typically requires extensive training. While operant conditioning is expected to produce stronger LTM than classical conditioning due to active learning, laser-based social conditioning in Drosophila yielded an unexpe...

BGC-QDR: A Quantum-Assisted Pipeline for Biosynthetic Gene Cluster Discovery and Ranking from Environmental DNA

bioRxiv
Biosynthetic gene clusters (BGCs) encode enzymatic pathways for natural products with pharmaceutical potential, yet prioritizing candidates from fragmented environmental DNA (eDNA) assemblies remains computationally challenging. We present BGC-QDR (B...

NanoCellAnnotator: Formalizing Expert Cell Type Annotation with Large Language Models

bioRxiv
Motivation: Cell-type annotation in spatial transcriptomics is challenging due to sparse gene panels, spatial heterogeneity, and limited availability of tissue-matched reference atlases. Recent approaches have explored large language models (LLMs) fo...

A Visually Interpretable Histopathology-Based Immune Model Predicts T-effector Biology and Response to Immune checkpoint inhibition in Clear Cell Renal Cell Carcinoma Clinical Trial and Contemporary Real-World Datasets

bioRxiv
Immune checkpoint inhibitors (ICI) are central to the treatment of metastatic clear cell renal cell carcinoma (ccRCC), yet only a subset of patients derive durable benefit, and clinically deployable predictive biomarkers remain an unmet need. RNA-bas...