Machine Learning and Statistical Analysis for Materials Science: Stability and Transferability of Fingerprint Descriptors and Chemical Insights

Author:

Pankajakshan Praveen1,Sanyal Suchismita1,de Noord Onno E.2,Bhattacharya Indranil3,Bhattacharyya Arnab3,Waghmare Umesh4ORCID

Affiliation:

1. Shell India Markets Pvt. Ltd., Bangalore, India

2. Shell Global Solutions International B.V., The Hague, The Netherlands

3. Indian Institute of Science, Bangalore, India

4. Jawaharlal Nehru Center for Advanced Scientific Research (JNCASR), Bangalore, India

Funder

Jawaharlal Nehru Centre for Advanced Scientific Research

Shell

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,General Chemical Engineering,General Chemistry

Reference47 articles.

1. Materials Genome Initiative for Global Competitiveness; White Paper, Group on Advanced Materials, June 2011; www.whitehouse.gov/sites/default/files/microsites/ostpmaterials_genome_initiative-final.pdf.

2. Machine-Learning-Augmented Chemisorption Model for CO2 Electroreduction Catalyst Screening

3. Accelerating materials property predictions using machine learning

4. NATO ASI, Ser. C;Wold S.,1984

5. Chemometric Methods in Molecular Design

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