Sean Ekins

Collaborations Pharmaceuticals (United States)

Computer SciencePharmacology, Toxicology and PharmaceuticsMedicine

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 1%percentile

5.7Author DataRank

Indexed papers

5in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Why this DataRank?

An author's DataRank is the sum of the DataRanks of all 5 indexed papers attributed to them. A prolific author with many moderate-impact papers can outrank one with a single high-impact paper.

Author scores recompute whenever paper DataRanks are refreshed, so this number lags the underlying paper scores by at most one batch run.

Read the full methodology →

The highest-impact dataset this researcher has shared, ranked by DataRank — the single contribution doing the most to lift their data-sharing standing.

CATMoS: Collaborative Acute Toxicity Modeling Suite

Environmental Health Perspectives(2021)10.1289/ehp8495

Top 4%

4.9DataRank

Top 4%142 citations

Agnes L. Karmaus, Jeremy Fitzpatrick, Grace Patlewicz, Prachi Pradeep, Domenico Alberga +95 more

Papers

Driven by 68 papers — median percentile 51. Top paper: “CATMoS: Collaborative Acute Toxicity Modeling Suite”.

CATMoS: Collaborative Acute Toxicity Modeling Suite

Environmental Health Perspectives(2021)10.1289/ehp8495

Top 4%

4.9DataRank

Top 4%142 citations

Agnes L. Karmaus, Jeremy Fitzpatrick, Grace Patlewicz, Prachi Pradeep, Domenico Alberga +95 more

Knowledge-based approaches to drug discovery for rare diseases

Drug Discovery Today(2021)10.1016/j.drudis.2021.10.014

N/A

0.564DataRank · unranked

42 citations

Daniel Korn, Vera Pervitsky, Andrew Thieme, Stephen J. Capuzzi, Nancy Baker +6 more

Cross-species efficacy of enzyme replacement therapy for CLN1 disease in mice and sheep

Journal of Clinical Investigation(2022)10.1172/jci163107

N/A

0.449DataRank · unranked

19 citations

Samantha L. Eaton, Sophie H. Wang, Elizabeth M. Eultgen, Keigo Takahashi, Steven Q. Le +25 more

Using Bibliometric Analysis and Machine Learning to Identify Compounds Binding to Sialidase-1

ACS Omega(2021)10.1021/acsomega.0c05591

N/A

0.416DataRank · unranked

15 citations

Nancy Baker, Daniel H. Foil, Kimberley M. Zorn, Fabio Urbina, Ana C. Puhl +2 more

Computational drug discovery for the Zika virus

Brazilian Journal of Pharmaceutical Sciences(2018)10.1590/s2175-97902018000001002

N/A

0.401DataRank · unranked

8 citations

Joyce Villa Verde Bastos Borba, Cleber Camilo Melo-Filho, Bruno Junior Neves, Eugene Muratov, Pedro Henrique Monteiro Torres +5 more

N-Phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-3-amine as a New Class of HIV-1 Non-nucleoside Reverse Transcriptase Inhibitor

Journal of Medicinal Chemistry(2023)10.1021/acs.jmedchem.2c02055

N/A

0.385DataRank · unranked

12 citations

Vadim Makarov, Julie A. Nelson, Rick B. Meeker, Giuseppina Sanna, Olga Riabova +8 more

Quantum Machine Learning for Drug Discovery

ChemRxiv(2020)10.26434/chemrxiv.12781232

Top 48%

0.374DataRank

Top 48%4 citations

Kimberley M. Zorn, Daniel H. Foil, Eni Minerali, Victor O. Gawriljuk, Thomas R. Lane +2 more

Multiple approaches to repurposing drugs for neuroblastoma

Bioorganic & Medicinal Chemistry(2022)10.1016/j.bmc.2022.117043

N/A

0.360DataRank · unranked

10 citations

Ana C. Puhl, Tammy M. Havener, Edward Anderson, Daniel H. Foil, Kimberley M. Zorn +6 more

Quantum Machine Learning for Drug Discovery

ChemRxiv(2020)10.26434/chemrxiv.12781232.v1

Top 51%

0.348DataRank

Top 51%6 citations

Kimberley M. Zorn, Daniel H. Foil, Eni Minerali, Victor O. Gawriljuk, Thomas R. Lane +2 more

MegaSyn: Integrating Generative Molecule Design, Automated Analog Designer and Synthetic Viability Prediction

(2021)10.33774/chemrxiv-2021-nlwvs

N/A

0.165DataRank · unranked

2 citations

Christopher Lowden, Christopher Culberson, Sean Ekins, Fabio Urbina

Machine learning modeling of zebrafish toxicity endpoints after exposure to PROTACs

Toxicological Sciences(2025)10.1093/toxsci/kfaf162

Top 72%

0.118DataRank

Top 72%1 citations

Joshua S. Harris, Thomas R. Lane, Morgan Barnes, Patricia A. Vignaux, Renuka Raman +5 more

Tilorone: A Broad-Spectrum Antiviral Invented in the USA and Commercialized in Russia and Beyond

OSF Preprints (OSF Preprints)(2020)10.31219/osf.io/uxasg

N/A

0DataRank · unranked

5 citations

Thomas R. Lane, Peter B. Madrid, Sean Ekins

Pyronaridine Tetraphosphate Efficacy Against Ebola Virus Infection in Guinea Pig

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.03.20.001081

N/A

0DataRank · unranked

4 citations

Christopher Massey, Jason E. Comer, Alexander N. Freiberg, Huanying Zhou, Julie Dyall +6 more

Tilorone: A Broad-Spectrum Antiviral For Emerging Viruses

OSF Preprints (OSF Preprints)(2020)10.31219/osf.io/bu8jr

N/A

0DataRank · unranked

3 citations

Peter B. Madrid, Sean Ekins

Towards the Target: Tilorone, Quinacrine and Pyronaridine Bind to Ebola Virus Glycoprotein

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.05.26.118182

N/A

0DataRank · unranked

1 citations

Sean Ekins, Thomas R. Lane

Challenges Predicting Ligand-Receptor Interactions of Promiscuous Proteins: The Nuclear Receptor PXR

UNC Libraries(2020)10.17615/d5ts-xm28

N/A

0DataRank · unranked

0 citations

Sandhya Kortagere, Sean Ekins, Manisha Iyer, Matthew R. Redinbo, Erica J. Reschly +2 more

Elucidating the ‘Jekyll and Hyde’ Nature of PXR: The Case for Discovering Antagonists or Allosteric Antagonists

UNC Libraries(2020)10.17615/9gpw-fq51

N/A

0DataRank · unranked

0 citations

Matthew R. Redinbo, Hao Li, Matthew D. Krasowski, Sean Ekins, Sridhar Mani +1 more

A critical overview of computational approaches employed for COVID-19 drug discovery

Chemical Society Reviews(2021)10.1039/d0cs01065k

N/A

0DataRank · unranked

212 citations

Rommie E. Amaro, Carolina Horta Andrade, Nathan Brown, Sean Ekins, Denis Fourches +14 more

Recent advances in drug repurposing using machine learning

Current Opinion in Chemical Biology(2021)10.1016/j.cbpa.2021.06.001

N/A

0DataRank · unranked

69 citations

Ana C. Puhl, Sean Ekins, Fabio Urbina

Comparing the Pfizer Central Nervous System Multiparameter Optimization Calculator and a BBB Machine Learning Model

ACS Chemical Neuroscience(2021)10.1021/acschemneuro.1c00265

N/A

0DataRank · unranked

29 citations

Kimberley M. Zorn, Daniela Brunner, Sean Ekins, Fabio Urbina

Metabolomic and transcriptomic analysis reveals endogenous substrates and metabolic adaptation in rats lacking Abcg2 and Abcb1a transporters

PLoS ONE(2021)10.1371/journal.pone.0253852

N/A

0DataRank · unranked

20 citations

David Finkelstein, Timothy I. Shaw, Ryan D. Michalek, Kimberly M. Zorn, Sean Ekins +6 more

Cationic Compounds with SARS-CoV-2 Antiviral Activity and Their Interaction with Organic Cation Transporter/Multidrug and Toxin Extruder Secretory Transporters

Journal of Pharmacology and Experimental Therapeutics(2021)10.1124/jpet.121.000619

N/A

0DataRank · unranked

9 citations

Xiaohong Zhang, Kimberley M. Zorn, Sean Ekins, Stephen H. Wright, Lucy Martinez-Guerrero

Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite

Environmental Health Perspectives(2021)10.1289/ehp10369

N/A

0DataRank · unranked

31 citations

Agnes L. Karmaus, Jeremy Fitzpatrick, Grace Patlewicz, Prachi Pradeep, Domenico Alberga +95 more

MegaSyn: Integrating Generative Molecule Design, Automated Analog Designer and Synthetic Viability Prediction

ChemRxiv(2021)10.26434/chemrxiv-2021-nlwvs

N/A

0DataRank · unranked

4 citations

Christopher Lowden, Christopher Culberson, Sean Ekins, Fabio Urbina

Strain dependent structural effects and in vivo efficacy of enterovirus-D68 inhibitors

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.12.24.474126

N/A

0DataRank · unranked

0 citations

Jianing Fu, Barbara Sherry, E. Bart Tarbet, Brett L. Hurst, Olga Riabova +12 more

Repurposing the Ebola and Marburg Virus Inhibitors Tilorone, Quinacrine, and Pyronaridine: In Vitro Activity against SARS-CoV-2 and Potential Mechanisms

UNC Libraries(2021)10.17615/5h4x-0k36

N/A

0DataRank · unranked

0 citations

Ethan J. Fritch, Brett L. Hurst, Peter B. Madrid, Carolina Horta Andrade, Thomas R. Lane +20 more

A teachable moment for dual-use

Nature Machine Intelligence(2022)10.1038/s42256-022-00511-6

N/A

0DataRank · unranked

17 citations

Filippa Lentzos, Cédric Invernizzi, Sean Ekins, Fabio Urbina

Computational and Experimental Approaches Identify Beta-Blockers as Potential SARS-CoV-2 Spike Inhibitors

ACS Omega(2022)10.1021/acsomega.2c01707

N/A

0DataRank · unranked

12 citations

Melina Mottin, Carolina Q. Sacramento, Tatyana Almeida Tavella, Gabriel Gonçalves Dias, Natalia Fintelman‐Rodrigues +11 more

The commoditization of AI for molecule design

Artificial Intelligence in the Life Sciences(2022)10.1016/j.ailsci.2022.100031

N/A

0DataRank · unranked

8 citations

Sean Ekins, Fabio Urbina

Confirmation of high-throughput screening data and novel mechanistic insights into FXR-xenobiotic interactions by orthogonal assays

Current Research in Toxicology(2022)10.1016/j.crtox.2022.100092

N/A

0DataRank · unranked

0 citations

Debabrata Mahapatra, Megan M. Knuth, Jaleh Abedini, Mary A. Lingerfelt, Sean Ekins +2 more

Antiviral Evaluation of Dispirotripiperazines against Hepatitis B Virus

Journal of Medicinal Chemistry(2023)10.1021/acs.jmedchem.3c00974

N/A

0DataRank · unranked

9 citations

John E. Tavis, Qilan Li, Olga Riabova, Natalia Monakhova, Daniel P. Bradley +4 more

Preventing AI From Creating Biochemical Threats

Journal of Chemical Information and Modeling(2023)10.1021/acs.jcim.2c01616

N/A

0DataRank · unranked

9 citations

Filippa Lentzos, Cédric Invernizzi, Sean Ekins, Fabio Urbina

Efficacy of an isoxazole-3-carboxamide analog of pleconaril in mouse models of Enterovirus-D68 and Coxsackie B5

Antiviral Research(2023)10.1016/j.antiviral.2023.105654

N/A

0DataRank · unranked

9 citations

Jianing Fu, Barbara Sherry, E. Bart Tarbet, Brett L. Hurst, Olga Riabova +15 more

1-Sulfonyl-3-amino-1H-1,2,4-triazoles as Yellow Fever Virus Inhibitors: Synthesis and Structure–Activity Relationship

ACS Omega(2023)10.1021/acsomega.3c06106

N/A

0DataRank · unranked

9 citations

Thomas R. Lane, Thane Jones, Ana C. Puhl, Olga Riabova, Vadim Makarov +2 more

Learning from COVID-19: How drug hunters can prepare for the next pandemic

Drug Discovery Today(2023)10.1016/j.drudis.2023.103723

N/A

0DataRank · unranked

6 citations

Thomas R. Lane, Sean Ekins, Ana C. Puhl

The protein disulfide isomerase inhibitor 3-methyltoxoflavin inhibits Chikungunya virus

Bioorganic & Medicinal Chemistry(2023)10.1016/j.bmc.2023.117239

N/A

0DataRank · unranked

7 citations

R.S. Fernandes, André S. Godoy, Laura H. V. G. Gil, Glaucius Oliva, Sean Ekins +1 more

Transporter Inhibition Profile for the Antivirals Tilorone, Quinacrine and Pyronaridine

ACS Omega(2023)10.1021/acsomega.3c00724

N/A

0DataRank · unranked

3 citations

Thomas R. Lane, Ana C. Puhl, Raymond K. Hau, Stephen H. Wright, Nathan J. Cherrington +2 more

Developing Treatments for Rare Diseases on a Shoestring

GEN Biotechnology(2023)10.1089/genbio.2023.0033

N/A

0DataRank · unranked

1 citations

S Negri, Maggie A. Z. Hupcey, Sean Ekins, Ana C. Puhl

Post-submission Steps to Win the Grant

AAPS introductions in the pharmaceutical sciences(2023)10.1007/978-3-031-27516-6_10

N/A

0DataRank · unranked

0 citations

Sean Ekins

The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications

Communications Chemistry(2024)10.1038/s42004-024-01220-4

N/A

0DataRank · unranked

29 citations

Patricia A. Vignaux, Mustafa Kemal Ozalp, Jacob Gerlach, Ana C. Puhl, Thomas R. Lane +4 more

Machine learning-aided search for ligands of P2Y6 and other P2Y receptors

Purinergic Signalling(2024)10.1007/s11302-024-10003-4

N/A

0DataRank · unranked

9 citations

Sarah A. Lewicki, Zhan‐Guo Gao, Asmita Pramanik, Vadim Makarov, Sean Ekins +2 more

Identification of New Modulators and Inhibitors of Palmitoyl-Protein Thioesterase 1 for CLN1 Batten Disease and Cancer

ACS Omega(2024)10.1021/acsomega.3c09607

N/A

0DataRank · unranked

6 citations

Renuka Raman, Tammy M. Havener, Eni Minerali, Anthony J. Hickey, Sean Ekins +1 more

Computational drug repositioning identifies niclosamide and tribromsalan as inhibitors of Mycobacterium tuberculosis and Mycobacterium abscessus

Tuberculosis(2024)10.1016/j.tube.2024.102500

N/A

0DataRank · unranked

5 citations

Aaron Goff, David Wild, Ying Ding, Ayano Annis, Randy Kerber +10 more

Repurposing lapatinib as a triple antagonist of chemokine receptors 3, 4, and 5

Molecular Pharmacology(2024)10.1016/j.molpha.2024.100010

N/A

0DataRank · unranked

3 citations

Ana C. Puhl, Patricia A. Vignaux, Keith R. Pennypacker, Sean Ekins, Thomas R. Lane

Near-Term Quantum Classification Algorithms Applied to Antimalarial Drug Discovery

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c00953

N/A

0DataRank · unranked

4 citations

Kelvin Dsouza, Dhruv Ranganath, Joshua S. Harris, Thomas R. Lane, Fabio Urbina +2 more

Discovery of Dual Targeting GSK-3β/HIV-1 Reverse Transcriptase Inhibitors as Neuroprotective Antiviral Agents

ACS Chemical Neuroscience(2024)10.1021/acschemneuro.4c00725

N/A

0DataRank · unranked

4 citations

Renuka Raman, Ana C. Puhl, Thomas R. Lane, Olga Riabova, Elena Kazakova +3 more

A critical overview of computational approaches employed for COVID-19 drug discovery

UNC Libraries(2024)10.17615/bwe6-fp72

N/A

0DataRank · unranked

5 citations

Kenneth M. Merz, Matthew H. Todd, José L. Medina‐Franco, Sean Ekins, Alexey Zakharov +14 more

Oral Pyronaridine Tetraphosphate Reduces Tissue Presence of Parasites in a Mouse Model of Chagas Disease

ACS Omega(2024)10.1021/acsomega.4c05060

N/A

0DataRank · unranked

1 citations

Thomas R. Lane, Jean Bernatchez, Claudia Magalhaes Calvet Alvarez, Elany Barbosa da Silva, Miriam A. Giardini +2 more

Knowledge-based approaches to drug discovery for rare diseases

UNC Libraries(2024)10.17615/wgqe-x048

N/A

0DataRank · unranked

1 citations

Andrew Thieme, Alexander Tropsha, Eugene Muratov, Vera Pervitsky, Stephen J. Capuzzi +6 more

Computational drug discovery for the Zika virus

UNC Libraries(2024)10.17615/txrx-hz37

N/A

0DataRank · unranked

0 citations

Melina Mottin, Sean Ekins, Pedro Henrique Monteiro Torres, Eugene Muratov, Joyce Villa Verde Bastos Borba +5 more

Repurposing Quaternary Ammonium Compounds as Potential Treatments for COVID-19

Pharmaceutical Research(2020)10.1007/s11095-020-02842-8

N/A

0DataRank · unranked

117 citations

Antony Williams, Alexander Tropsha, Sean Ekins, Nancy Baker

Applications of artificial intelligence in drug discovery for neurological diseases

Neurotherapeutics(2025)10.1016/j.neurot.2025.e00624

N/A

0DataRank · unranked

5 citations

Thomas R. Lane, Sean Ekins

ToxPoint: The case for Equilibrative Nucleoside Transporters in current regulatory guidance

Toxicological Sciences(2025)10.1093/toxsci/kfaf122

N/A

0DataRank · unranked

1 citations

Xinyi Tang, Sean Ekins, Stephen H. Wright, Nathan J. Cherrington, Lucy Martinez-Guerrero

Resilient pathways for drug discovery in challenging times

Trends in Pharmacological Sciences(2025)10.1016/j.tips.2025.10.006

N/A

0DataRank · unranked

1 citations

Barbara S. Slusher, Sean Ekins

DDI–CYP: Metabolism ensemble models for drug-drug interaction predictions

Drug Metabolism and Disposition(2025)10.1016/j.dmd.2025.100137

N/A

0DataRank · unranked

0 citations

Joshua S. Harris, Thomas R. Lane, Fabio Urbina, Sean Ekins, Jason T. Wong

A dystopian nightmare for science and how to survive it

Artificial Intelligence in the Life Sciences(2025)10.1016/j.ailsci.2025.100139

N/A

0DataRank · unranked

0 citations

Sean Ekins

MegaEye: Applying multiple machine learning approaches to identify oral compounds with ocular bioactivity

Artificial Intelligence in the Life Sciences(2025)10.1016/j.ailsci.2025.100143

N/A

0DataRank · unranked

0 citations

Scott H. Greenwald, Patricia A. Vignaux, Thomas R. Lane, Joshua S. Harris, Mayssa Attar +3 more

A bibliometric review of drug repurposing

UNC Libraries(2024)10.17615/1a2n-fk80

N/A

0DataRank · unranked

0 citations

Alexander Tropsha, Sean Ekins, Nancy Baker, Antony Williams

Tilorone: a Broad-Spectrum Antiviral Invented in the USA and Commercialized in Russia and beyond

Pharmaceutical Research(2020)10.1007/s11095-020-02799-8

N/A

0DataRank · unranked

58 citations

Thomas R. Lane, Peter B. Madrid, Sean Ekins

The past, present and future of RNA respiratory viruses: influenza and coronaviruses

Pathogens and Disease(2020)10.1093/femspd/ftaa046

N/A

0DataRank · unranked

11 citations

Olga Riabova, Sean Ekins, Nikolay Pluzhnikov, Sergei Chepur, Vadim Makarov

Synergistic drug combinations and machine learning for drug repurposing in chordoma

Scientific Reports(2020)10.1038/s41598-020-70026-w

N/A

0DataRank · unranked

43 citations

Tammy M. Havener, Kimberley M. Zorn, Daniel H. Foil, Thomas R. Lane, Stephen J. Capuzzi +5 more

Tilorone, a Broad-Spectrum Antiviral for Emerging Viruses

Antimicrobial Agents and Chemotherapy(2020)10.1128/aac.00440-20

N/A

0DataRank · unranked

40 citations

Peter B. Madrid, Sean Ekins

Repurposing Pyramax®, quinacrine and tilorone as treatments for Ebola virus disease

Antiviral Research(2020)10.1016/j.antiviral.2020.104908

N/A

0DataRank · unranked

28 citations

Julie Dyall, Mercer Luke, Caleb Goodin, Daniel H. Foil, Huanying Zhou +6 more

Cheminformatics Analysis and Modeling with MacrolactoneDB

Scientific Reports(2020)10.1038/s41598-020-63192-4

N/A

0DataRank · unranked

27 citations

Gavin J. Williams, Sean Ekins, Phyo Phyo Kyaw Zin

Novel Yeast-based Strategy Unveils Antagonist Binding Regions on the Nuclear Xenobiotic Receptor PXR

UNC Libraries(2020)10.17615/60re-nn90

N/A

0DataRank · unranked

1 citations

Nicolin Bloch, Sridhar Mani, Ganjam V. Kalpana, Abdissa Negassa, Matthew R. Redinbo +5 more

Repurposing the Ebola and Marburg Virus Inhibitors Tilorone, Quinacrine and Pyronaridine: In vitro Activity Against SARS-CoV-2 and Potential Mechanisms

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.12.01.407361

N/A

0DataRank · unranked

21 citations

Ethan J. Fritch, Thomas R. Lane, Longping V. Tse, Boyd L. Yount, Carol Queiroz Sacramento +19 more

Machine Learning Models Identify Inhibitors of SARS-CoV-2

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.06.16.154765

N/A

0DataRank · unranked

11 citations

Phyo Phyo Kyaw Zin, Daniel H. Foil, Jean Bernatchez, Sungjun Beck, Nathan Beutler +12 more

Tilorone: A Broad-Spectrum Antiviral For Emerging Viruses

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.03.09.984856

N/A

0DataRank · unranked

6 citations

Peter B. Madrid, Sean Ekins

Sean Ekins

Indexed papers

Top data-sharing exemplar

Papers