Hemophilia

Bridging the NISQ and Fault-Tolerant Regimes: Generative-ML-Assisted Quantum Selected CI for Molecular Simulations

Calculation of binding energies for protein-ligand molecular systems requires accurate treatment of the electronic structure, a quantum chemistry problem that scales exponentially on classical hardware, while current quantum hardware remains too noisy for the required circuit depths. This report presents a hybrid quantum-classical workflow performed on the Fujitsu FX700 ideal state-vector simulato...

Desktop-Scale Hit-Point Discovery for Intrinsically Disordered α-Synuclein Using State-Space Compression and a Discrete Phase-Interference Search Operator

The accessible chemical space dwarfs any tractable screening budget, and most artificial intelligence drug discovery pipelines respond by docking and ranking a small sublibrary. The resulting hit list is agnostic to selectivity, brain penetration, toxicity, synthetic accessibility, and chemical novelty. We present ISTP-DPISO DrugEngine, an end-to-end engine developed by ISTP Tech that integrates t...

External Validation and Calibration Assessment of Explainable Machine Learning Models for GVHD Prediction After Allogeneic HSCT

BackgroundGraft-versus-host disease (GVHD) remains a major determinant of morbidity and mortality following allogeneic hematopoietic stem cell transpl...

Machine learning-based modeling to predict inhibitors for targets of Alzheimer's Disease

Alzheimer's Disease is a chronic neurodegenerative disorder projected to affect 115 million people by 2050, driven by mechanisms like the cholinergic ...

Seeing Below the Limit of Detection: A Censored-Poisson Bayesian Latent-Growth Change-Point Detector (the Span Detector) for Serial ctDNA in HR+/HER2- Metastatic Breast Cancer

Circulating-tumour DNA (ctDNA) carries evidence of drug resistance months before imaging shows it, but the earliest evidence lives below the assay's l...

Neuroanatomical dimensions in recent-onset depression: clinical profiles, inflammatory markers, and proteomic ageing

Background: Major depressive disorder (MDD) is clinically heterogeneous, hindering identification of reproducible biomarkers. Using a semi-supervised ...

Comfort with AI for HIV Prevention Among Cisgender Women in New York City

Background: Long-acting pre-exposure prophylaxis (PrEP) expands HIV prevention options for women. However, PrEP impact depends on addressing persisten...

Boundary-Specific Failure Modes and Safety Trade-offs of Large Language Models in ChronicKidney Disease Renoprotective Therapy Review:A Stratified Synthetic Benchmark

Background.Renoprotective therapies - SGLT2 inhibitors, finerenone, and renin-angiotensin system inhibitors (RASi) - remain underutilisedin chronic ki...

An LSEC-focused computational drug repurposing platform for liver fibrosis: Identification of vorinostat and other LSEC-protective candidates

Liver sinusoidal endothelial cells (LSECs) are increasingly recognized as a critical yet underexplored cell type in anti-fibrotic drug development. Th...

A Bioprinted Head and Neck Cancer Organoid-Based Platform for Evaluating Multimodal Therapies

Treatment of advanced head and neck squamous cell carcinoma (HNSCC) often involves radiotherapy combined with chemotherapy, targeted therapy, or immun...

Transcript architecture predetermines m6A remodeling and sensory neuron vulnerability in chemotherapy-induced peripheral neuropathy

Whether individual transcripts carry intrinsic features that predetermine their response to external perturbations is unknown. Here we used nanopore d...

Pathway-Centric Integration of CRISPR Fitness with Molecular Features Draws Cancer State Maps

Cancer cells display heterogeneous pathway activity that shapes therapeutic vulnerability, but mapping it remains challenging. Transcriptomic scores d...

Kinome profiling allows examination and prediction of kinase inhibitor cardiotoxicity

Background: Despite improved cancer outcomes with kinase inhibitors (KIs), their cardiotoxicity remains a significant clinical challenge. Current appr...

Learning activator-inhibitor dynamics at the cell cortex with neural likelihood ratio estimation

A key question in cell biology is how cell-scale organization emerges from a given set of molecular players and rules of interaction. Given its multis...

Spatial remodeling of the urothelial carcinoma tumor microenvironment shapes response to neoadjuvant atezolizumab

The ABACUS study was a single arm, phase II trial evaluating neoadjuvant atezolizumab in operable urothelial carcinoma. Initial bulk transcriptomic an...

HF-125, a first-in-class computer-modeled novel inhibitor of Tribbles 2, for therapy of enzalutamide resistant, neuroendocrine prostate cancer.

Second generation antiandrogens, such as enzalutamide, are commonly prescribed to treat advanced prostate cancer. However, enzalutamide resistant pros...

Semaglutide is associated with improved breast cancer survival, lower metastatic burden, and a dose-survival relationship uncoupled from weight-loss magnitude

Metabolic dysfunction is increasingly recognized as a risk factor for poor outcomes in breast cancer, but whether incretin-based therapies confer surv...

CT-Based Deep Foundation Model for Predicting Immune Checkpoint Inhibitor-Induced Pneumonitis Risk in Lung Cancer

Background: Immune checkpoint inhibitors (ICIs) have revolutionized cancer therapy but can cause serious immune-related adverse events (irAEs), with p...

Multi-Objective Reinforcement Learning for Generating Covalent Inhibitor Candidates

Rational design of covalent inhibitors requires simultaneously optimizing multiple properties, such as binding affinity, target selectivity, or electr...

SCOPE: Integrating Organoid Screening and Clinical Variables Through Machine Learning for Cancer Trial Outcome Prediction

BackgroundPredicting whether a treatment will demonstrate meaningful clinical benefit before committing to a large-scale trial remains a major unmet n...