… of machine learning in Materials Discovery and Design and to … to conduct materials discovery
and design. The remainder of … formal description of machine learning in materials science …

… In contrast with discovery, we distinguish materials design as the … designs. ML models,
analysis of their key features (32, 52), and dimensionality reduction (ie, unsupervised learning) (53…

… This review is focused on several machine learning approaches used in chemoinformatics.
Machine learning approaches provide tools and algorithms to improve drug discovery. Many …

We are excited to present this Special Topic collection on Machine Learning for Materials
Design and Discovery in the Journal of Applied Physics. With a wide range of exciting and …

… Machine learning that generates biological hypotheses has transformative potential, but
most learning … adoption of machine learning algorithms into the experimental lifecycle. …

… vector machine classifier to aid in the design of membrane active peptides. We use this
model to discover … Integrating machine learning with targeted experimentation can guide both …

… is machine learning?” and then give a number of examples of how these methods have recently
aided the design and discovery … These examples illustrate how discoveries can be made …

… machine learning models and outlier detection methods that ensure robust predictions for the
discovery of AMPs and the design … Our combined approach led to the discovery of 34 high-…

… machine learning in material discovery, including data preprocessing, feature engineering,
machine learning … DFT calculations with machine learning for material discovery. Many …

… To overcome these challenges, we train machine-learning (ML) models capable of … the
potential of ML-model-driven discovery to uncover catalyst design rules and exceptions. …