Scientists have tapped artificial intelligence and powerful computing to take a first step to speed up how quickly officials ...

Predicting thyroid illness has become a significant problem in recent times. Thyroid illness is getting more frequent in women over thirty, but it is also becoming more prevalent in men, women, and ...

Abstract Theoretical and computational chemistry (TCC) is a set of theories and models that, over the years, were refined to the point that it is possible to determine measurable quantities with ...

The prediction of ignition and flame properties of fuels using machine learning (ML) has experienced significant advancement, substantially enhancing predictive capabilities in combustion science.

Molecular Property Prediction (MPP) aids in drug discovery by predicting diverse molecular properties. This article presents a graph contrastive learning-based method for MPP. The approach effectively ...

This work develops a hybrid machine learning/molecular mechanics (ML/MM) interface integrated into the AMBER molecular simulation package. The resulting platform is highly versatile, accommodating ...

In this work, machine learning models were successfully developed to capture the relationship between composition and dielectric properties of strontium-containing dielectrics using different ...

A machine learning framework for predicting cognitive impairment in aging populations using urinary metal and demographic data ...