AI Medical Compendium Journal:
Molecules (Basel, Switzerland)

Showing 141 to 150 of 243 articles

Androgen Receptor Binding Category Prediction with Deep Neural Networks and Structure-, Ligand-, and Statistically Based Features.

Molecules (Basel, Switzerland)
Substances that can modify the androgen receptor pathway in humans and animals are entering the environment and food chain with the proven ability to disrupt hormonal systems and leading to toxicity and adverse effects on reproduction, brain developm...

Classification of Greek Olive Oils from Different Regions by Machine Learning-Aided Laser-Induced Breakdown Spectroscopy and Absorption Spectroscopy.

Molecules (Basel, Switzerland)
In the present work, the emission and the absorption spectra of numerous Greek olive oil samples and mixtures of them, obtained by two spectroscopic techniques, namely Laser-Induced Breakdown Spectroscopy (LIBS) and Absorption Spectroscopy, and aided...

Generative Adversarial Learning of Protein Tertiary Structures.

Molecules (Basel, Switzerland)
Protein molecules are inherently dynamic and modulate their interactions with different molecular partners by accessing different tertiary structures under physiological conditions. Elucidating such structures remains challenging. Current momentum in...

Review on the Use of Artificial Intelligence to Predict Fire Performance of Construction Materials and Their Flame Retardancy.

Molecules (Basel, Switzerland)
The evaluation and interpretation of the behavior of construction materials under fire conditions have been complicated. Over the last few years, artificial intelligence (AI) has emerged as a reliable method to tackle this engineering problem. This r...

A Review of the Discriminant Analysis Methods for Food Quality Based on Near-Infrared Spectroscopy and Pattern Recognition.

Molecules (Basel, Switzerland)
Near-infrared spectroscopy (NIRS) combined with pattern recognition technique has become an important type of non-destructive discriminant method. This review first introduces the basic structure of the qualitative analysis process based on near-infr...

Actuating Shape Memory Polymer for Thermoresponsive Soft Robotic Gripper and Programmable Materials.

Molecules (Basel, Switzerland)
For soft robotics and programmable metamaterials, novel approaches are required enabling the design of highly integrated thermoresponsive actuating systems. In the concept presented here, the necessary functional component was obtained by polymer syn...

Viscosity of Ionic Liquids: Application of the Eyring's Theory and a Committee Machine Intelligent System.

Molecules (Basel, Switzerland)
Accurate determination of the physicochemical characteristics of ionic liquids (ILs), especially viscosity, at widespread operating conditions is of a vital role for various fields. In this study, the viscosity of pure ILs is modeled using three appr...

Improved Deep Learning Based Method for Molecular Similarity Searching Using Stack of Deep Belief Networks.

Molecules (Basel, Switzerland)
Virtual screening (VS) is a computational practice applied in drug discovery research. VS is popularly applied in a computer-based search for new lead molecules based on molecular similarity searching. In chemical databases similarity searching is us...

Anomaly Identification during Polymerase Chain Reaction for Detecting SARS-CoV-2 Using Artificial Intelligence Trained from Simulated Data.

Molecules (Basel, Switzerland)
Real-time reverse transcription (RT) PCR is the gold standard for detecting Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), owing to its sensitivity and specificity, thereby meeting the demand for the rising number of cases. The scarcit...

Application 2D Descriptors and Artificial Neural Networks for Beta-Glucosidase Inhibitors Screening.

Molecules (Basel, Switzerland)
Beta-glucosidase inhibitors play important medical and biological roles. In this study, simple two-variable artificial neural network (ANN) classification models were developed for beta-glucosidase inhibitors screening. All bioassay data were obtaine...