AIMC Journal:
bioRxiv
Showing 1451 to 1460 of 4956 articles
Computational Design of Novel Selective Phosphodiesterase 4B Inhibitors from Natural Products: An Integrated Machine Learning and Structure-Based Drug Discovery Approach
bioRxiv
May 19, 2026
Abstract Selective inhibition of phosphodiesterase 4B (PDE4B) remains a promising strategy for preserving the anti-inflammatory benefit of PDE4 inhibition in chronic obstructive pulmonary disease while reducing PDE4D-associated tolerability liabiliti...
ToxCastLite: A portable semantic evidence graph linking in vitro bioactivity, in vivo toxicity, and exposure-use context
bioRxiv
May 19, 2026
Motivation: The ToxCast database is a valuable resource for computational toxicology and new approach methodologies (NAMs), but the approximately 100GB MySQL distribution is difficult to use for portable local analysis and cross-domain evidence minin...
Modeling Complex Effects and Individual Variability in Multi-Paradigm fMRI with Nonlinear Mixed Models
bioRxiv
May 19, 2026
Functional magnetic resonance imaging (fMRI) data are inherently complex, characterized by high dimensionality, intricate inter-regional dependencies, and substantial individual variability across experimental paradigms. Traditional linear mixed mode...
Effects of Structural Reward Shaping on Biophysical Properties in RL-Trained Plasmid Generators
bioRxiv
May 19, 2026
We compare the efficacy and distributional effects of supervised fine-tuning (SFT) and reinforcement learning (RL) post-training for PlasmidGPT, a foundation model for whole-plasmid generation, using Group Relative Policy Optimization (GRPO) for the ...
Histopathology-inferred spatial transcriptomics characterizes the tumor microenvironment in 1,500 head and neck tumors and predicts clinical outcomes
bioRxiv
May 19, 2026
Head and neck squamous cell carcinoma (HNSC) is a prevalent malignancy associated with poor prognosis despite recent therapeutic advances. We hypothesized that a comprehensive understanding of the spatial heterogeneity and organization of the tumor m...
The Brain as Actor and Evaluator: Distinct Neural Codes for Timing and Self-Evaluation of Timing Errors Revealed by Transformer-Based Decoding
bioRxiv
May 19, 2026
Metacognitive self-evaluation, the capacity to assess one's own performance without external feedback, is fundamental to adaptive cognition. A central unresolved question in metacognition is whether self-evaluation reflects a direct readout of the ne...
A quantitative proteomics dataset for assessment and prediction of low dose X-ray radiation exposure in mice.
bioRxiv
May 19, 2026
Ionizing radiation induces molecular responses that may be used to estimate exposure when physical dosimeters are unavailable. Here we present two large-scale proteomics datasets generated from mouse dorsal skin punch samples collected following cont...
Replicability of unsupervised deep learning derived image phenotypes
bioRxiv
May 19, 2026
Unsupervised deep-learning image phenotypes derived from brain MRI are propelling imaging genetics to link brain structure to genetic variation. However, their replicability across data sets has not been sufficiently evaluated, raising questions abou...
The microstructure-weighted human connectome: network properties and structure-function correlations across spatial scales
bioRxiv
May 19, 2026
Conventional connectome edge weights, such as number of streamlines (NOS) or diffusion tensor imaging (DTI) metrics, lack specificity to microstructural details which may hold relevance for macroscale brain organisation. Since biophysical diffusion m...
The cost of efficiency in flexible neural representations
bioRxiv
May 19, 2026
Working memory depends on the flexible representation of stimulus information in neural activity, which changes dynamically depending on task. Stimulus transformations are thought to be efficient in use of neural resources and optimal for task perfor...
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