Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Matthias Rupp

3PUBLICATIONS

9CO-AUTHORS

Powder and particle technologyDeep learningStatistical mechanics in chemistry

Featured researcher

Get your video featured.

Publish with JoVE

Featured researcher

Get your video featured.

Publish with JoVE

Publications (3)

Sort by Publication Date:

|Jul 17, 2020

Assessing the frontier: Active learning, model accuracy, and multi-objective candidate discovery and optimization.

Zachary Del Rosario, Matthias Rupp, Yoolhee Kim

|Jun 03, 2019

Chemical diversity in molecular orbital energy predictions with kernel ridge regression.

Annika Stuke, Milica Todorović, Matthias Rupp

|Jul 02, 2018

Guest Editorial: Special Topic on Data-Enabled Theoretical Chemistry.

Matthias Rupp, O Anatole von Lilienfeld, Kieron Burke

Pageof 1

Frequent Collaborators

1 joint publications

Kieron Burke

1 joint publications

Annika Stuke

1 joint publications

Milica Todorović

1 joint publications

Christian Kunkel

1 joint publications

Kunal Ghosh

1 joint publications

Lauri Himanen

1 joint publications

Patrick Rinke

1 joint publications

Zachary Del Rosario

1 joint publications

Yoolhee Kim

Frequent Collaborators

1 joint publications

Kieron Burke

1 joint publications

Annika Stuke

1 joint publications

Milica Todorović

1 joint publications

Christian Kunkel

Top Related Videos

Selecting Multiple Biomarker Subsets with Similarly Effective Binary Classification Performances

Selecting Multiple Biomarker Subsets with Similarly Effective Binary Classification Performances

Published on : Oct 11, 2018

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on : May 09, 2025

Using the Open-Source MALDI TOF-MS IDBac Pipeline for Analysis of Microbial Protein and Specialized Metabolite Data

Using the Open-Source MALDI TOF-MS IDBac Pipeline for Analysis of Microbial Protein and Specialized Metabolite Data

Published on : May 15, 2019

See more related videos

Top Related Videos

Selecting Multiple Biomarker Subsets with Similarly Effective Binary Classification Performances

Selecting Multiple Biomarker Subsets with Similarly Effective Binary Classification Performances

Published on : Oct 11, 2018

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on : May 09, 2025

Using the Open-Source MALDI TOF-MS IDBac Pipeline for Analysis of Microbial Protein and Specialized Metabolite Data

Using the Open-Source MALDI TOF-MS IDBac Pipeline for Analysis of Microbial Protein and Specialized Metabolite Data

Published on : May 15, 2019

See more related videos