Steven Kearnes

4.1k total citations · 2 hit papers
17 papers, 1.8k citations indexed

About

Steven Kearnes is a scholar working on Computational Theory and Mathematics, Materials Chemistry and Molecular Biology. According to data from OpenAlex, Steven Kearnes has authored 17 papers receiving a total of 1.8k indexed citations (citations by other indexed papers that have themselves been cited), including 8 papers in Computational Theory and Mathematics, 7 papers in Materials Chemistry and 5 papers in Molecular Biology. Recurrent topics in Steven Kearnes's work include Machine Learning in Materials Science (7 papers), Computational Drug Discovery Methods (7 papers) and Chemical Synthesis and Analysis (3 papers). Steven Kearnes is often cited by papers focused on Machine Learning in Materials Science (7 papers), Computational Drug Discovery Methods (7 papers) and Chemical Synthesis and Analysis (3 papers). Steven Kearnes collaborates with scholars based in United States, Ghana and Poland. Steven Kearnes's co-authors include Patrick Riley, Vijay S. Pande, Kevin McCloskey, Marc Berndl, Bing Huang, O. Anatole von Lilienfeld, Justin Gilmer, Luke A. D. Hutchison, George E. Dahl and Samuel S. Schoenholz and has published in prestigious journals such as Journal of the American Chemical Society, Scientific Reports and Biophysical Journal.

In The Last Decade

Steven Kearnes

16 papers receiving 1.8k citations

Hit Papers

align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

Molecular graph convolutions: moving beyond fingerprints

2016 995 citations Steven Kearnes, Kevin McCloskey et al. Journal of Computer-Aided Molecular Design profile →
Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error

2017 459 citations Felix A. Faber, Luke A. D. Hutchison et al. Journal of Chemical Theory and Computation profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name	h						Papers	Cites
Steven Kearnes United States	8	1.2k	1.1k	723	224	145	17	1.8k
Karl Leswing United States	11	1.3k 1.1×	1.5k 1.4×	1.1k 1.6×	304 1.4×	113 0.8×	14	2.3k
Joseph Gomes United States	10	1.6k 1.3×	1.5k 1.4×	1.2k 1.6×	376 1.7×	248 1.7×	26	2.6k
Jorge Aguilera‐Iparraguirre United States	12	1.1k 0.9×	879 0.8×	586 0.8×	110 0.5×	180 1.2×	15	1.9k
Caleb Geniesse United States	6	1.1k 0.9×	1.2k 1.1×	864 1.2×	289 1.3×	77 0.5×	9	1.8k
Jon Paul Janet Sweden	23	1.6k 1.3×	781 0.7×	404 0.6×	92 0.4×	227 1.6×	45	2.2k
Zhenqin Wu United States	9	1.3k 1.1×	1.6k 1.5×	1.3k 1.8×	339 1.5×	106 0.7×	16	2.4k
AkshatKumar Nigam Canada	11	817 0.7×	598 0.5×	384 0.5×	138 0.6×	148 1.0×	14	1.4k
Alain C. Vaucher Switzerland	16	806 0.7×	517 0.5×	314 0.4×	132 0.6×	177 1.2×	34	1.2k
Evan N. Feinberg United States	9	1.3k 1.1×	1.7k 1.5×	2.0k 2.7×	306 1.4×	129 0.9×	17	3.2k
Michael Gastegger Germany	14	1.7k 1.5×	877 0.8×	583 0.8×	146 0.7×	140 1.0×	24	2.2k

Countries citing papers authored by Steven Kearnes

Since Specialization

Citations

This map shows the geographic impact of Steven Kearnes's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Steven Kearnes with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Steven Kearnes more than expected).

Fields of papers citing papers by Steven Kearnes

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Steven Kearnes. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Steven Kearnes. The network helps show where Steven Kearnes may publish in the future.

Co-authorship network of co-authors of Steven Kearnes

This figure shows the co-authorship network connecting the top 25 collaborators of Steven Kearnes. A scholar is included among the top collaborators of Steven Kearnes based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Steven Kearnes. Steven Kearnes is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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17 of 17 papers shown

Kearnes, Steven & Patrick Riley. (2024). Ordinal Confidence Level Assignments for Regression Model Predictions. Journal of Chemical Information and Modeling. 64(24). 9299–9305.

Mercado, Rocío, Steven Kearnes, & Connor W. Coley. (2023). Data Sharing in Chemistry: Lessons Learned and a Case for Mandating Structured Reaction Data. Journal of Chemical Information and Modeling. 63(14). 4253–4265. 23 indexed citations

Goldman, Brian, et al.. (2022). Defining Levels of Automated Chemical Design. Journal of Medicinal Chemistry. 65(10). 7073–7087. 23 indexed citations

Kearnes, Steven, Michael Maser, Michael Wleklinski, et al.. (2021). The Open Reaction Database. Journal of the American Chemical Society. 143(45). 18820–18826. 179 indexed citations

Sun, Ruoxi, Hanjun Dai, Li Li, Steven Kearnes, & Bo Dai. (2021). Towards understanding retrosynthesis by energy-based models. Neural Information Processing Systems. 34. 13 indexed citations

Zhou, Zhenpeng, Steven Kearnes, Li Li, Richard N. Zare, & Patrick Riley. (2020). Author Correction: Optimization of Molecules via Deep Reinforcement Learning. Scientific Reports. 10(1). 10478–10478. 1 indexed citations

Constant, David A., Bowen Liu, Roberto Mateo, et al.. (2020). A Targeted Computational Screen of the SWEETLEAD Database Reveals FDA-Approved Compounds with Anti-Dengue Viral Activity. mBio. 11(6). 5 indexed citations

McCloskey, Kevin, Eric A. Sigel, Steven Kearnes, et al.. (2020). Machine Learning on DNA-Encoded Libraries: A New Paradigm for Hit Finding. Journal of Medicinal Chemistry. 63(16). 8857–8866. 85 indexed citations

Faber, Felix A., Bing Huang, Justin Gilmer, et al.. (2017). Fast machine learning models of electronic and energetic properties consistently reach approximation errors better than DFT accuracy. arXiv (Cornell University). 5 indexed citations

10.

Faber, Felix A., Luke A. D. Hutchison, Bing Huang, et al.. (2017). Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error. Journal of Chemical Theory and Computation. 13(11). 5255–5264. 459 indexed citations breakdown →

11.

Kearnes, Steven, Kevin McCloskey, Marc Berndl, Vijay S. Pande, & Patrick Riley. (2016). Molecular graph convolutions: moving beyond fingerprints. Journal of Computer-Aided Molecular Design. 30(8). 595–608. 995 indexed citations breakdown →

12.

McGibbon, Robert T., Carlos X. Hernández, Matthew P. Harrigan, et al.. (2016). osprey: Osprey 1.0.0. Zenodo (CERN European Organization for Nuclear Research). 2 indexed citations

13.

McGibbon, Robert T., Carlos X. Hernández, Matthew P. Harrigan, et al.. (2016). Osprey: Hyperparameter Optimization for Machine Learning. The Journal of Open Source Software. 1(5). 34–34. 28 indexed citations

14.

McGibbon, Robert T., Matthew P. Harrigan, Bharath Ramsundar, et al.. (2016). msmbuilder: MSMBuilder 3.5. Zenodo (CERN European Organization for Nuclear Research). 1 indexed citations

15.

McGibbon, Robert T., Matthew P. Harrigan, Bharath Ramsundar, et al.. (2016). msmbuilder: MSMBuilder 3.4. Zenodo (CERN European Organization for Nuclear Research). 2 indexed citations

16.

Kearnes, Steven, Imran S. Haque, & Vijay S. Pande. (2013). SCISSORS: Practical Considerations. Journal of Chemical Information and Modeling. 54(1). 5–15. 2 indexed citations

17.

Kearnes, Steven, Steven R. Herron, & David D. Busath. (2011). Structure-Activity Relationships of Influenza a M2 Inhibitors. Biophysical Journal. 100(3). 93a–93a. 2 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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