WebPolymer Genome is a web-based machine-learning capability to perform near-instantaneous predictions of a variety of polymer properties. The prediction models are trained on (and interpolate between) an underlying database of polymers and their properties obtained from first principles computations and experimental measurements.
Machine-Learning-Based Predictions of Polymer and …
WebJul 15, 2024 · To expedite this process, we have developed a data-driven approach to assist in polymer retrosynthesis planning. In this work, a dataset of polymerization reactions … WebA number of molecular modeling techniques have been applied for the prediction of polymer properties and behavior. Five examples illustrate the range of methodologies used. A simple atomistic simulation of small polymer fragments is used to estimate drug compatibility with a polymer matrix. The analysis of molecular dynamics results from a more complex … greendale community center park greendale wi
Polymer Property Predictor and Database - University of Chicago
WebPolymer properties are usually more difficult to predict than those of small molecules due to them forming superstructures. In this work, we aimed at finding a versatile approach to … WebFeb 28, 2024 · Prediction of material property is a key problem because of its significance to material design and screening. We present a brand-new and general machine learning method for material property prediction. As a representative example, polymer compatibility is chosen to demonstrate the effectiveness of our method. Specifically, we mine data … WebMay 15, 2024 · Thus, when ML has been used for polymer property prediction, researchers have primarily focused on large sets of theoretically generated data (“Materials Project”) (19–21). Other ML methods in the past have typically been applied to experimental datasets with less than 100 data points for any given property ( 22 ), which tends to limit the … fl. phone number