AI Medical Compendium Journal:
Molecules (Basel, Switzerland)

Showing 121 to 130 of 243 articles

Machine Learning Data Augmentation as a Tool to Enhance Quantitative Composition-Activity Relationships of Complex Mixtures. A New Application to Dissect the Role of Main Chemical Components in Bioactive Essential Oils.

Molecules (Basel, Switzerland)
Scientific investigation on essential oils composition and the related biological profile are continuously growing. Nevertheless, only a few studies have been performed on the relationships between chemical composition and biological data. Herein, th...

Establishing a New Link between Fuzzy Logic, Neuroscience, and Quantum Mechanics through Bayesian Probability: Perspectives in Artificial Intelligence and Unconventional Computing.

Molecules (Basel, Switzerland)
Human interaction with the world is dominated by uncertainty. Probability theory is a valuable tool to face such uncertainty. According to the Bayesian definition, probabilities are personal beliefs. Experimental evidence supports the notion that hum...

Prediction of Drug-Target Interactions by Combining Dual-Tree Complex Wavelet Transform with Ensemble Learning Method.

Molecules (Basel, Switzerland)
Identification of drug-target interactions (DTIs) is vital for drug discovery. However, traditional biological approaches have some unavoidable shortcomings, such as being time consuming and expensive. Therefore, there is an urgent need to develop no...

Assessment of Volatile Aromatic Compounds in Smoke Tainted Cabernet Sauvignon Wines Using a Low-Cost E-Nose and Machine Learning Modelling.

Molecules (Basel, Switzerland)
Wine aroma is an important quality trait in wine, influenced by its volatile compounds. Many factors can affect the composition and levels (concentration) of volatile aromatic compounds, including the water status of grapevines, canopy management, an...

CYPstrate: A Set of Machine Learning Models for the Accurate Classification of Cytochrome P450 Enzyme Substrates and Non-Substrates.

Molecules (Basel, Switzerland)
The interaction of small organic molecules such as drugs, agrochemicals, and cosmetics with cytochrome P450 enzymes (CYPs) can lead to substantial changes in the bioavailability of active substances and hence consequences with respect to pharmacologi...

Learning the Fastest RNA Folding Path Based on Reinforcement Learning and Monte Carlo Tree Search.

Molecules (Basel, Switzerland)
RNA molecules participate in many important biological processes, and they need to fold into well-defined secondary and tertiary structures to realize their functions. Like the well-known protein folding problem, there is also an RNA folding problem....

Possibility of Human Gender Recognition Using Raman Spectra of Teeth.

Molecules (Basel, Switzerland)
Gender determination of the human remains can be very challenging, especially in the case of incomplete ones. Herein, we report a proof-of-concept experiment where the possibility of gender recognition using Raman spectroscopy of teeth is investigate...

Artificial Intelligence Assisted Ultrasonic Extraction of Total Flavonoids from .

Molecules (Basel, Switzerland)
Flavonoids in were studied. The flavonoids in were extracted by ultrasonic method, and the extraction conditions were modeled and optimized by response the surface methodology and the artificial intelligence method. The results show that the ultras...

Semi-Automated Determination of Heavy Metals in Autopsy Tissue Using Robot-Assisted Sample Preparation and ICP-MS.

Molecules (Basel, Switzerland)
The endoprosthetic care of hip and knee joints introduces multiple materials into the human body. Metal containing implant surfaces release degradation products such as particulate wear and corrosion debris, metal-protein complexes, free metallic ion...

Prediction of African Swine Fever Virus Inhibitors by Molecular Docking-Driven Machine Learning Models.

Molecules (Basel, Switzerland)
African swine fever virus (ASFV) causes a highly contagious and severe hemorrhagic viral disease with high mortality in domestic pigs of all ages. Although the virus is harmless to humans, the ongoing ASFV epidemic could have severe economic conseque...