MonteCat: A Basin-Hopping-Inspired Catalyst Descriptor Search Algorithm for Machine Learning Models-Reference-Cited by-同舟云学术

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MonteCat: A Basin-Hopping-Inspired Catalyst Descriptor Search Algorithm for Machine Learning Models

Published:2024-02-22 Issue:5 Volume:64 Page:1512-1521
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Garcia-Escobar Fernando¹^ORCID,Taniike Toshiaki²^ORCID,Takahashi Keisuke¹^ORCID

Affiliation:

1. Department of Chemistry, Hokkaido University, North 10, West 8, Sapporo 060-8510, Japan

2. Graduate School of Advanced Science and Technology, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292, Japan

Funder

JST-Mirai Program

Exploratory Research for Advanced Technology

Core Research for Evolutional Science and Technology

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01952

Reference34 articles.

1. A machine learning framework for the analysis and prediction of catalytic activity from experimental data

2. Interpretable Catalysis Models Using Machine Learning with Spectroscopic Descriptors

3. Predicting a Key Catalyst-Performance Descriptor for Supported Metal Nanoparticles: Metal Chemical Potential

4. Material descriptors for predicting thermoelectric performance

5. Material descriptors for photocatalyst/catalyst design

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