Patrick Riley

9.6k total citations · 2 hit papers
25 papers, 2.4k citations indexed

About

Patrick Riley is a scholar working on Computational Theory and Mathematics, Materials Chemistry and Artificial Intelligence. According to data from OpenAlex, Patrick Riley has authored 25 papers receiving a total of 2.4k indexed citations (citations by other indexed papers that have themselves been cited), including 12 papers in Computational Theory and Mathematics, 12 papers in Materials Chemistry and 7 papers in Artificial Intelligence. Recurrent topics in Patrick Riley's work include Machine Learning in Materials Science (12 papers), Computational Drug Discovery Methods (8 papers) and Chemical Synthesis and Analysis (3 papers). Patrick Riley is often cited by papers focused on Machine Learning in Materials Science (12 papers), Computational Drug Discovery Methods (8 papers) and Chemical Synthesis and Analysis (3 papers). Patrick Riley collaborates with scholars based in United States, United Kingdom and Switzerland. Patrick Riley's co-authors include Steven Kearnes, Kevin McCloskey, Marc Berndl, Vijay S. Pande, Peter Tyrer, Siobhán Murphy, Bing Huang, O. Anatole von Lilienfeld, Justin Gilmer and Luke A. D. Hutchison and has published in prestigious journals such as Nature, Proceedings of the National Academy of Sciences and Physical Review Letters.

In The Last Decade

Patrick Riley

23 papers receiving 2.3k 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
Patrick Riley United States	16	1.3k	1.1k	705	315	195	25	2.4k
Pieter-Jan Kindermans Belgium	12	1.2k 0.9×	637 0.6×	390 0.6×	517 1.6×	197 1.0×	21	2.5k
David Duvenaud Canada	18	754 0.6×	868 0.8×	583 0.8×	652 2.1×	116 0.6×	41	2.1k
Caleb Geniesse United States	6	1.1k 0.8×	1.2k 1.1×	864 1.2×	289 0.9×	77 0.4×	9	1.8k
Cristian R. Munteanu Spain	29	223 0.2×	916 0.8×	1.2k 1.7×	199 0.6×	119 0.6×	122	2.4k
Payel Das United States	31	718 0.5×	405 0.4×	1.2k 1.8×	142 0.5×	235 1.2×	86	2.3k
Pascal Friederich Germany	28	2.0k 1.5×	803 0.7×	633 0.9×	228 0.7×	351 1.8×	125	4.0k
Joseph Gomes United States	10	1.6k 1.2×	1.5k 1.4×	1.2k 1.7×	376 1.2×	248 1.3×	26	2.6k
José M. Amigó Spain	30	303 0.2×	305 0.3×	395 0.6×	501 1.6×	94 0.5×	157	3.1k
Lirong Wang China	29	567 0.4×	556 0.5×	656 0.9×	187 0.6×	455 2.3×	237	3.3k
William R. Cook United States	34	498 0.4×	609 0.5×	410 0.6×	2.2k 7.0×	142 0.7×	152	4.1k

Countries citing papers authored by Patrick Riley

Since Specialization

Citations

This map shows the geographic impact of Patrick Riley'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 Patrick Riley with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Patrick Riley more than expected).

Fields of papers citing papers by Patrick Riley

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Patrick Riley. 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 Patrick Riley. The network helps show where Patrick Riley may publish in the future.

Co-authorship network of co-authors of Patrick Riley

This figure shows the co-authorship network connecting the top 25 collaborators of Patrick Riley. A scholar is included among the top collaborators of Patrick Riley 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 Patrick Riley. Patrick Riley is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

Correy, G.J., Stefan Gahbauer, Priyadarshini Jaishankar, et al.. (2025). Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Science Advances. 11(22). eads7187–eads7187. 2 indexed citations

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

Heavlin, William D., et al.. (2022). Case‐Control Study on a Decade of Ground‐Based Magnetometers in California Reveals Modest Signal 24–72 hr Prior to Earthquakes. Journal of Geophysical Research Solid Earth. 127(10). 13 indexed citations

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

Gongora, Aldair E., Emily Whiting, Patrick Riley, et al.. (2021). Using simulation to accelerate autonomous experimentation: A case study using mechanics. iScience. 24(4). 102262–102262. 56 indexed citations

Li, Li, Stephan Hoyer, Ryan Pederson, et al.. (2021). Kohn-Sham Equations as Regularizer: Building Prior Knowledge into Machine-Learned Physics. Physical Review Letters. 126(3). 36401–36401. 119 indexed citations

Gongora, Aldair E., et al.. (2020). A Bayesian experimental autonomous researcher for mechanical design. Science Advances. 6(15). eaaz1708–eaaz1708. 199 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

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

10.

Li, Li, Minjie Fan, Marc Coram, Patrick Riley, & Stefan Leichenauer. (2020). Quantum optimization with a novel Gibbs objective function and ansatz architecture search. Physical Review Research. 2(2). 64 indexed citations

11.

Gongora, Aldair E., Emily Whiting, Patrick Riley, et al.. (2020). Using Simulation to Accelerate Autonomous Experimentation (AE): A Case Study Using Mechanics. SSRN Electronic Journal. 2 indexed citations

12.

Baltz, Edward A., E. Trask, Michl Binderbauer, et al.. (2017). Achievement of Sustained Net Plasma Heating in a Fusion Experiment with the Optometrist Algorithm. Scientific Reports. 7(1). 6425–6425. 22 indexed citations

13.

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

14.

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 →

15.

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 →

16.

Riley, Patrick. (2011). The Revolution Will Be Televised: Identifying, Organizing, and Presenting Correlations Between Social Media and Broadcast Television. eScholarship (California Digital Library).

17.

Riley, Patrick. (2003). Natural Law Theories in the Early Enlightenment. The English Historical Review. 118(476). 442–445. 1 indexed citations

18.

Holton, Anthony, Patrick Riley, & Peter Tyrer. (1992). Factors predicting long-term outcome after chronic benzodiazepine therapy. Journal of Affective Disorders. 24(4). 245–252. 25 indexed citations

19.

Tyrer, Peter, Siobhán Murphy, & Patrick Riley. (1990). The benzodiazepine withdrawal symptom questionnaire. Journal of Affective Disorders. 19(1). 53–61. 151 indexed citations

20.

Tyrer, P., et al.. (1984). Value of serum diazepam and nordiazepam measurements in anxious patients. Journal of Affective Disorders. 7(1). 1–10. 5 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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