Machine learning workflow enables faster, more reliable organic crystal structure prediction

Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals ...

Computational method can calculate forces between large molecules with unprecedented accuracy

A new computational method now makes it possible to calculate the forces between large molecules with unprecedented accuracy.
C&EN

High-Entropy Phosphate Synthesis: Advancements through Automation and Sequential Learning Optimization

Article subjects are automatically applied from the ACS Subject Taxonomy and describe the scientific concepts and themes of the article. Numerical categorisation: pak = 1; viv = 2; nia = 3; pak + swih ...
GitHub

An interpretable machine learning framework for designing high-strength high-entropy alloys using feature selection, generative models, and ensemble learning.

There was an error while loading. Please reload this page. Data_preprocessing_and_feature_selction.py contains Python code focused on preprocessing data and selecting ...
UroToday

Harnessing Artificial Intelligence to Predict Spontaneous Stone Passage: Development and Testing of a Machine Learning-Based Calculator.

Objective: We sought to use artificial intelligence (AI) to develop and test calculators to predict spontaneous stone passage (SSP) using radiographical and clinical data. Methods: Consecutive ...
EurekAlert!

First machine learning model developed to calculate the volume of all glaciers on Earth

VENICE – A team of researchers led by Niccolò Maffezzoli, “Marie Curie” fellow at Ca’ Foscari University of Venice and the University of California, Irvine, and an associate member of the Institute of ...
Digital Trends

Building the ultimate AI and machine learning PC

One of the best ways to reduce your vulnerability to data theft or privacy invasions when using large language model artificial intelligence or machine learning, is to run the model locally. Depending ...
UroToday

A Novel Machine Learning-Based Predictive Model of Clinically Significant Prostate Cancer and Online Risk Calculator - Beyond the Abstract

This recent publication presents a novel machine learning-based predictive model for clinically significant prostate cancer, along with an online risk calculator. The model was developed using a ...
C&EN

Accelerating the Discovery of New, Single Phase High Entropy Ceramics via Active Learning

High-entropy ceramics have garnered interest due to their remarkable hardness, compressive strength, thermal stability, and fracture toughness; yet the discovery of new high-entropy ceramics (out of a ...