AIMC Topic: Databases, Factual

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Exploring the Methodological Approaches of Studies on Radiographic Databases Used in Cariology to Feed Artificial Intelligence: A Systematic Review.

Caries research
INTRODUCTION: A growing number of studies on diagnostic imaging show superior efficiency and accuracy of computer-aided diagnostic systems compared to those of certified dentists. This methodological systematic review aimed to evaluate the different ...

In silico prediction of ocular toxicity of compounds using explainable machine learning and deep learning approaches.

Journal of applied toxicology : JAT
The accurate identification of chemicals with ocular toxicity is of paramount importance in health hazard assessment. In contemporary chemical toxicology, there is a growing emphasis on refining, reducing, and replacing animal testing in safety evalu...

Enhancing diagnostic deep learning via self-supervised pretraining on large-scale, unlabeled non-medical images.

European radiology experimental
BACKGROUND: Pretraining labeled datasets, like ImageNet, have become a technical standard in advanced medical image analysis. However, the emergence of self-supervised learning (SSL), which leverages unlabeled data to learn robust features, presents ...

Feature engineering from meta-data for prediction of differentially expressed genes: An investigation of Mus musculus exposed to space-conditions.

Computational biology and chemistry
Transcription profiling is a key process that can reveal those biological mechanisms driving the response to various exposure conditions or gene perturbations. In this work, we investigate the prediction of differentially expressed genes (DEGs) when ...

Extracting adverse drug events from clinical Notes: A systematic review of approaches used.

Journal of biomedical informatics
BACKGROUND: An adverse drug event (ADE) is any unfavorable effect that occurs due to the use of a drug. Extracting ADEs from unstructured clinical notes is essential to biomedical text extraction research because it helps with pharmacovigilance and p...

Automatic Prediction of Band Gaps of Inorganic Materials Using a Gradient Boosted and Statistical Feature Selection Workflow.

Journal of chemical information and modeling
Machine learning (ML) methods can train a model to predict material properties by exploiting patterns in materials databases that arise from structure-property relationships. However, the importance of ML-based feature analysis and selection is often...

From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials.

Journal of chemical information and modeling
Structurally and conformationally diverse databases are needed to train accurate neural networks or kernel-based potentials capable of exploring the complex free energy landscape of flexible functional organic molecules. Curating such databases for s...

Development of a standardized methodology for transfer learning with QSAR models: a purely data-driven approach for source task selection.

SAR and QSAR in environmental research
Transfer learning is a machine learning technique that works well with chemical endpoints, with several papers confirming its efficiency. Although effective, because the choice of source/assistant tasks is non-trivial, the application of this techniq...

SMGCN: Multiple Similarity and Multiple Kernel Fusion Based Graph Convolutional Neural Network for Drug-Target Interactions Prediction.

IEEE/ACM transactions on computational biology and bioinformatics
Accurately identifying potential drug-target interactions (DTIs) is a critical step in accelerating drug discovery. Despite many studies that have been conducted over the past decades, detecting DTIs remains a highly challenging and complicated proce...