Sean Ekins

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 101

Top Venues

Journal of chemical information and modeling

ACS omega

Molecular pharmaceutics

Pharmaceutical research

University of Aberdeen (MSC)

This page only lists publications with an associated author ORCID identifier.

Education History

University of Aberdeen

United Kingdom

MSC

University of Aberdeen

United Kingdom

PHD

Publications

Thomas R Lane, David Koebel, Eric Lucas, Robert Moyer, Sean Ekins
In vitro Characterization and Rescue of VX Metabolism in Human Liver Microsomes . Drug metabolism and disposition: the biological fate of chemicals (2024)
Matthew A Dorsey, Kelvin Dsouza, Dhruv Ranganath, Joshua S Harris, Thomas R Lane, Fabio Urbina, Sean Ekins
Near-Term Quantum Classification Algorithms Applied to Antimalarial Drug Discovery. Journal of chemical information and modeling (2024)
Mustafa Kemal Ozalp, Patricia A Vignaux, Ana C Puhl, Thomas R Lane, Fabio Urbina, Sean Ekins
Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors. Journal of chemical information and modeling (2024)
Jair Lage Siqueira-Neto, Thomas R Lane, Jean A Bernatchez, Claudia Magalhaes Calvet Alvarez, Elany Barbosa da Silva, Miriam A Giardini, Sean Ekins
Oral Pyronaridine Tetraphosphate Reduces Tissue Presence of Parasites in a Mouse Model of Chagas Disease. ACS omega 9 (35) (2024)
Matthew A Dorsey, Kelvin Dsouza, Dhruv Ranganath, Joshua S Harris, Thomas R Lane, Fabio Urbina, Sean Ekins
Near-Term Quantum Classification Algorithms Applied to Antimalarial Drug Discovery. Journal of chemical information and modeling (2024)
Ana C Puhl, Renuka Raman, Tammy M Havener, Eni Minerali, Anthony J Hickey, Sean Ekins
Identification of New Modulators and Inhibitors of Palmitoyl-Protein Thioesterase 1 for CLN1 Batten Disease and Cancer. ACS omega 9 (10) (2024)
Ana C Puhl, Renuka Raman, Tammy M Havener, Eni Minerali, Anthony J Hickey, Sean Ekins
Identification of New Modulators and Inhibitors of Palmitoyl-Protein Thioesterase 1 for CLN1 Batten Disease and Cancer. ACS omega 9 (10) (2024)
Fabio Urbina, Thane Jones, Joshua S Harris, Scott H Snyder, Thomas R Lane, Sean Ekins
Predicting the Hallucinogenic Potential of Molecules Using Artificial Intelligence. ACS chemical neuroscience 15 (16) (2024)
Mustafa Kemal Ozalp, Patricia A Vignaux, Ana C Puhl, Thomas R Lane, Fabio Urbina, Sean Ekins
Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors. Journal of chemical information and modeling 64 (8) (2024)
Thomas R Lane, David Koebel, Eric Lucas, Robert Moyer, Sean Ekins
In Vitro Characterization and Rescue of VX Metabolism in Human Liver Microsomes. Drug metabolism and disposition: the biological fate of chemicals 52 (6) (2024)
Fabio Urbina, Thane Jones, Joshua S Harris, Scott H Snyder, Thomas R Lane, Sean Ekins
Predicting the Hallucinogenic Potential of Molecules Using Artificial Intelligence. ACS chemical neuroscience (2024)
Fabio Urbina, Thane Jones, Joshua S Harris, Scott H Snyder, Thomas R Lane, Sean Ekins
Predicting the Hallucinogenic Potential of Molecules Using Artificial Intelligence. ACS chemical neuroscience 15 (16) (2024)
Mustafa Kemal Ozalp, Patricia A Vignaux, Ana C Puhl, Thomas R Lane, Fabio Urbina, Sean Ekins
Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors. Journal of chemical information and modeling 64 (8) (2024)
Matthew A Dorsey, Kelvin Dsouza, Dhruv Ranganath, Joshua S Harris, Thomas R Lane, Fabio Urbina, Sean Ekins
Near-Term Quantum Classification Algorithms Applied to Antimalarial Drug Discovery. Journal of chemical information and modeling 64 (15) (2024)
Mustafa Kemal Ozalp, Patricia A Vignaux, Ana C Puhl, Thomas R Lane, Fabio Urbina, Sean Ekins
Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors. Journal of chemical information and modeling 64 (8) (2024)
Scott H Snyder, Patricia A Vignaux, Mustafa Kemal Ozalp, Jacob Gerlach, Ana C Puhl, Thomas R Lane, John Corbett, Fabio Urbina, Sean Ekins
The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications. Communications chemistry 7 (1) (2024)
Mustafa Kemal Ozalp, Patricia A Vignaux, Ana C Puhl, Thomas R Lane, Fabio Urbina, Sean Ekins
Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors. Journal of chemical information and modeling 64 (8) (2024)
Scott H Snyder, Patricia A Vignaux, Mustafa Kemal Ozalp, Jacob Gerlach, Ana C Puhl, Thomas R Lane, John Corbett, Fabio Urbina, Sean Ekins
The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications. Communications chemistry 7 (1) (2024)
Mustafa Kemal Ozalp, Patricia A Vignaux, Ana C Puhl, Thomas R Lane, Fabio Urbina, Sean Ekins
Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors. Journal of chemical information and modeling 64 (8) (2024)
Scott H Snyder, Patricia A Vignaux, Mustafa Kemal Ozalp, Jacob Gerlach, Ana C Puhl, Thomas R Lane, John Corbett, Fabio Urbina, Sean Ekins
The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications. Communications chemistry 7 (1) (2024)
Fabio Urbina, Thane Jones, Joshua S Harris, Scott H Snyder, Thomas R Lane, Sean Ekins
Predicting the Hallucinogenic Potential of Molecules Using Artificial Intelligence. ACS chemical neuroscience (2024)
Mustafa Kemal Ozalp, Patricia A Vignaux, Ana C Puhl, Thomas R Lane, Fabio Urbina, Sean Ekins
Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors. Journal of chemical information and modeling 64 (8) (2024)
Thomas R Lane, David Koebel, Eric Lucas, Robert Moyer, Sean Ekins
In Vitro Characterization and Rescue of VX Metabolism in Human Liver Microsomes. Drug metabolism and disposition: the biological fate of chemicals 52 (6) (2024)
Ana C Puhl, Renuka Raman, Tammy M Havener, Eni Minerali, Anthony J Hickey, Sean Ekins
Identification of New Modulators and Inhibitors of Palmitoyl-Protein Thioesterase 1 for CLN1 Batten Disease and Cancer. ACS omega 9 (10) (2024)
Matthew A Dorsey, Kelvin Dsouza, Dhruv Ranganath, Joshua S Harris, Thomas R Lane, Fabio Urbina, Sean Ekins
Near-Term Quantum Classification Algorithms Applied to Antimalarial Drug Discovery. Journal of chemical information and modeling 64 (15) (2024)
Matthew A Dorsey, Kelvin Dsouza, Dhruv Ranganath, Joshua S Harris, Thomas R Lane, Fabio Urbina, Sean Ekins
Near-Term Quantum Classification Algorithms Applied to Antimalarial Drug Discovery. Journal of chemical information and modeling 64 (15) (2024)
Patricia A Vignaux, Thomas R Lane, Ana C Puhl, Raymond K Hau, Stephen H Wright, Nathan J Cherrington, Sean Ekins
Transporter Inhibition Profile for the Antivirals Tilorone, Quinacrine and Pyronaridine. ACS omega 8 (13) (2023)
Fabio Urbina, Filippa Lentzos, Cédric Invernizzi, Sean Ekins
Preventing AI From Creating Biochemical Threats. Journal of chemical information and modeling 63 (3) (2023)
Patricia A Vignaux, Thomas R Lane, Fabio Urbina, Jacob Gerlach, Ana C Puhl, Scott H Snyder, Sean Ekins
Validation of Acetylcholinesterase Inhibition Machine Learning Models for Multiple Species. Chemical research in toxicology 36 (2) (2023)
Fabio Urbina, Filippa Lentzos, Cédric Invernizzi, Sean Ekins
Preventing AI From Creating Biochemical Threats. Journal of chemical information and modeling 63 (3) (2023)
Patricia A Vignaux, Thomas R Lane, Fabio Urbina, Jacob Gerlach, Ana C Puhl, Scott H Snyder, Sean Ekins
Validation of Acetylcholinesterase Inhibition Machine Learning Models for Multiple Species. Chemical research in toxicology 36 (2) (2023)
Pasquale Linciano, Antonio Quotadamo, Rosaria Luciani, Matteo Santucci, Kimberley M Zorn, Daniel H Foil, Thomas R Lane, Anabela Cordeiro da Silva, Nuno Santarem, Carolina B Moraes, Lucio Freitas-Junior, Ulrike Wittig, Wolfgang Mueller, Michele Tonelli, Stefania Ferrari, Alberto Venturelli, Sheraz Gul, Maria Kuzikov, Bernhard Ellinger, Jeanette Reinshagen, Sean Ekins, Maria Paola Costi
High-Throughput Phenotypic Screening and Machine Learning Methods Enabled the Selection of Broad-Spectrum Low-Toxicity Antitrypanosomatidic Agents. Journal of medicinal chemistry (2023)
Elena Kazakova, Thomas R Lane, Thane Jones, Ana C Puhl, Olga Riabova, Vadim A Makarov, Sean Ekins
1-Sulfonyl-3-amino-1 H -1,2,4-triazoles as Yellow Fever Virus Inhibitors: Synthesis and Structure-Activity Relationship. ACS omega 8 (45) (2023)
Thomas R Lane, Vadim Makarov, Julie A E Nelson, Rick B Meeker, Giuseppina Sanna, Olga Riabova, Elena Kazakova, Natalia Monakhova, Andrey Tsedilin, Fabio Urbina, Thane Jones, Ashley Suchy, Sean Ekins
N -Phenyl-1-(phenylsulfonyl)-1 H -1,2,4-triazol-3-amine as a New Class of HIV-1 Non-nucleoside Reverse Transcriptase Inhibitor. Journal of medicinal chemistry (2023)
Thane Jones, Natalia Monakhova, Florence Guivel-Benhassine, Alexander Lepioshkin, Timothée Bruel, Thomas R Lane, Olivier Schwartz, Ana C Puhl, Vadim A Makarov, Sean Ekins
Synthesis and Evaluation of 9-Aminoacridines with SARS-CoV-2 Antiviral Activity. ACS omega 8 (43) (2023)
Sean Ekins, Maximilian Brackmann, Cédric Invernizzi, Filippa Lentzos
Generative Artificial Intelligence-Assisted Protein Design Must Consider Repurposing Potential. GEN biotechnology 2 (4) (2023)
Fabio Urbina, Filippa Lentzos, Cédric Invernizzi, Sean Ekins
Preventing AI From Creating Biochemical Threats. Journal of chemical information and modeling 63 (3) (2023)
Fabio Urbina, Filippa Lentzos, Cédric Invernizzi, Sean Ekins
Preventing AI From Creating Biochemical Threats. Journal of chemical information and modeling (2023)
Ana C Puhl, Andre Schutzer Godoy, Gabriela D Noske, Aline M Nakamura, Victor O Gawriljuk, Rafaela S Fernandes, Glaucius Oliva, Sean Ekins
Discovery of PL pro and M pro Inhibitors for SARS-CoV-2. ACS omega 8 (25) (2023)
Thane Jones, John E Tavis, Qilan Li, Olga Riabova, Natalia Monakhova, Daniel P Bradley, Thomas R Lane, Vadim A Makarov, Sean Ekins
Antiviral Evaluation of Dispirotripiperazines against Hepatitis B Virus. Journal of medicinal chemistry (2023)
Patricia A Vignaux, Pratik Shriwas, Andre Revnew, Garima Agarwal, Thomas R Lane, Craig A McElroy, Sean Ekins
Human CYP2C19 Substrate and Inhibitor Characterization of Organophosphate Pesticides. Chemical research in toxicology (2023)
Thomas R Lane, Vadim Makarov, Julie A E Nelson, Rick B Meeker, Giuseppina Sanna, Olga Riabova, Elena Kazakova, Natalia Monakhova, Andrey Tsedilin, Fabio Urbina, Thane Jones, Ashley Suchy, Sean Ekins
N -Phenyl-1-(phenylsulfonyl)-1 H -1,2,4-triazol-3-amine as a New Class of HIV-1 Non-nucleoside Reverse Transcriptase Inhibitor. Journal of medicinal chemistry 66 (9) (2023)
Patricia A Vignaux, Thomas R Lane, Fabio Urbina, Jacob Gerlach, Ana C Puhl, Scott H Snyder, Sean Ekins
Validation of Acetylcholinesterase Inhibition Machine Learning Models for Multiple Species. Chemical research in toxicology 36 (2) (2023)
Fabio Urbina, Filippa Lentzos, Cédric Invernizzi, Sean Ekins
Preventing AI From Creating Biochemical Threats. Journal of chemical information and modeling 63 (3) (2023)
Ana C Puhl, Andre Schutzer Godoy, Gabriela D Noske, Aline M Nakamura, Victor O Gawriljuk, Rafaela S Fernandes, Glaucius Oliva, Sean Ekins
Discovery of PL pro and M pro Inhibitors for SARS-CoV-2. ACS omega 8 (25) (2023)
Patricia A Vignaux, Thomas R Lane, Fabio Urbina, Jacob Gerlach, Ana C Puhl, Scott H Snyder, Sean Ekins
Validation of Acetylcholinesterase Inhibition Machine Learning Models for Multiple Species. Chemical research in toxicology 36 (2) (2023)
Ana C Puhl, Andre Schutzer Godoy, Gabriela D Noske, Aline M Nakamura, Victor O Gawriljuk, Rafaela S Fernandes, Glaucius Oliva, Sean Ekins
Discovery of PL pro and M pro Inhibitors for SARS-CoV-2. ACS omega 8 (25) (2023)
Patricia A Vignaux, Thomas R Lane, Fabio Urbina, Jacob Gerlach, Ana C Puhl, Scott H Snyder, Sean Ekins
Validation of Acetylcholinesterase Inhibition Machine Learning Models for Multiple Species. Chemical research in toxicology (2023)
Thomas R Lane, Vadim Makarov, Julie A E Nelson, Rick B Meeker, Giuseppina Sanna, Olga Riabova, Elena Kazakova, Natalia Monakhova, Andrey Tsedilin, Fabio Urbina, Thane Jones, Ashley Suchy, Sean Ekins
N -Phenyl-1-(phenylsulfonyl)-1 H -1,2,4-triazol-3-amine as a New Class of HIV-1 Non-nucleoside Reverse Transcriptase Inhibitor. Journal of medicinal chemistry 66 (9) (2023)
Thomas R Lane, Vadim Makarov, Julie A E Nelson, Rick B Meeker, Giuseppina Sanna, Olga Riabova, Elena Kazakova, Natalia Monakhova, Andrey Tsedilin, Fabio Urbina, Thane Jones, Ashley Suchy, Sean Ekins
N -Phenyl-1-(phenylsulfonyl)-1 H -1,2,4-triazol-3-amine as a New Class of HIV-1 Non-nucleoside Reverse Transcriptase Inhibitor. Journal of medicinal chemistry 66 (9) (2023)
Ana C Puhl, Melina Mottin, Carolina Q Sacramento, Tatyana Almeida Tavella, Gabriel Gonçalves Dias, Natalia Fintelman-Rodrigues, Jairo R Temerozo, Suelen S G Dias, Paulo Ricardo Pimenta da Silva Ramos, Eric M Merten, Kenneth H Pearce, Fabio Trindade Maranhão Costa, Lakshmanane Premkumar, Thiago Moreno L Souza, Carolina Horta Andrade, Sean Ekins
Computational and Experimental Approaches Identify Beta-Blockers as Potential SARS-CoV-2 Spike Inhibitors. ACS omega 7 (32) (2022)
Melina Mottin, Bruna Katiele de Paula Sousa, Nathalya Cristina de Moraes Roso Mesquita, Ketllyn Irene Zagato de Oliveira, Gabriela Dias Noske, Geraldo Rodrigues Sartori, Aline de Oliveira Albuquerque, Fabio Urbina, Ana C Puhl, José Teófilo Moreira-Filho, Guilherme Eduardo de Souza, Rafael V C Guido, Eugene N Muratov, Bruno Junior Neves, João Herminio Martins Da Silva, Alex E Clark, Jair L Siqueira-Neto, Alexander L Perryman, Glaucius Oliva, Sean Ekins, Carolina Horta Andrade
Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika. Journal of chemical information and modeling (2022)
Alexander Lemenze, Nisha Mittal, Alexander L Perryman, Samer S Daher, Sean Ekins, James Occi, Yong-Mo Ahn, Xin Wang, Riccardo Russo, Jimmy S Patel, Robin M Daugherty, David O Wood, Nancy Connell, Joel S Freundlich
Rickettsia Aglow: A Fluorescence Assay and Machine Learning Model to Identify Inhibitors of Intracellular Infection. ACS infectious diseases 8 (7) (2022)
Sean Ekins
Al-novation: Finding New Uses for Artificial Intelligence Across Industries. GEN biotechnology 1 (5) (2022)
Ana C Puhl, Giovanni F Gomes, Samara Damasceno, Andre S Godoy, Gabriela D Noske, Aline M Nakamura, Victor O Gawriljuk, Rafaela S Fernandes, Natalia Monakhova, Olga Riabova, Thomas R Lane, Vadim Makarov, Flavio P Veras, Sabrina S Batah, Alexandre T Fabro, Glaucius Oliva, Fernando Q Cunha, José C Alves-Filho, Thiago M Cunha, Sean Ekins
Pyronaridine Protects against SARS-CoV-2 Infection in Mouse. ACS infectious diseases 8 (6) (2022)
Ana C Puhl, Giovanni F Gomes, Samara Damasceno, Ethan J Fritch, James A Levi, Nicole J Johnson, Frank Scholle, Lakshmanane Premkumar, Brett L Hurst, Felipe Lee-Montiel, Flávio Protásio Veras, Sabrina S Batah, Alexandre T Fabro, Nathaniel J Moorman, Boyd L Yount, Rebekah J Dickmander, Ralph S Baric, Kenneth H Pearce, Fernando Q Cunha, José C Alves-Filho, Thiago M Cunha, Sean Ekins
Vandetanib Blocks the Cytokine Storm in SARS-CoV-2-Infected Mice. ACS omega 7 (36) (2022)
Fabio Urbina, Christopher T Lowden, J Christopher Culberson, Sean Ekins
MegaSyn: Integrating Generative Molecular Design, Automated Analog Designer, and Synthetic Viability Prediction. ACS omega 7 (22) (2022)
Thomas R Lane, Fabio Urbina, Xiaohong Zhang, Margret Fye, Jacob Gerlach, Stephen H Wright, Sean Ekins
Machine Learning Models Identify New Inhibitors for Human OATP1B1. Molecular pharmaceutics 19 (11) (2022)
Victor O Gawriljuk, Phyo Phyo Kyaw Zin, Ana C Puhl, Kimberley M Zorn, Daniel H Foil, Thomas R Lane, Brett Hurst, Tatyana Almeida Tavella, Fabio Trindade Maranhão Costa, Premkumar Lakshmanane, Jean Bernatchez, Andre S Godoy, Glaucius Oliva, Jair L Siqueira-Neto, Peter B Madrid, Sean Ekins
Machine Learning Models Identify Inhibitors of SARS-CoV-2. Journal of chemical information and modeling 61 (9) (2021)
Victor O Gawriljuk, Daniel H Foil, Ana C Puhl, Kimberley M Zorn, Thomas R Lane, Olga Riabova, Vadim Makarov, Andre S Godoy, Glaucius Oliva, Sean Ekins
Development of Machine Learning Models and the Discovery of a New Antiviral Compound against Yellow Fever Virus. Journal of chemical information and modeling 61 (8) (2021)
Kimberley M Zorn, Shengxi Sun, Cecelia L McConnon, Kelley Ma, Eric K Chen, Daniel H Foil, Thomas R Lane, Lawrence J Liu, Nelly El-Sakkary, Danielle E Skinner, Sean Ekins, Conor R Caffrey
A Machine Learning Strategy for Drug Discovery Identifies Anti-Schistosomal Small Molecules. ACS infectious diseases 7 (2) (2021)
Kushal Batra, Kimberley M Zorn, Daniel H Foil, Eni Minerali, Victor O Gawriljuk, Thomas R Lane, Sean Ekins
Quantum Machine Learning Algorithms for Drug Discovery Applications. Journal of chemical information and modeling 61 (6) (2021)
Fabio Urbina, Kimberley M Zorn, Daniela Brunner, Sean Ekins
Comparing the Pfizer Central Nervous System Multiparameter Optimization Calculator and a BBB Machine Learning Model. ACS chemical neuroscience 12 (12) (2021)
Thomas R Lane, Fabio Urbina, Laura Rank, Jacob Gerlach, Olga Riabova, Alexander Lepioshkin, Elena Kazakova, Anthony Vocat, Valery Tkachenko, Stewart Cole, Vadim Makarov, Sean Ekins
Machine Learning Models for Mycobacterium tuberculosis In Vitro Activity: Prediction and Target Visualization. Molecular pharmaceutics 19 (2) (2021)
Thomas R Lane, Sean Ekins
Defending Antiviral Cationic Amphiphilic Drugs That May Cause Drug-Induced Phospholipidosis. Journal of chemical information and modeling 61 (9) (2021)
Thomas Lane, Daniel P Russo, Kimberley M Zorn, Alex M Clark, Alexandru Korotcov, Valery Tkachenko, Robert C Reynolds, Alexander L Perryman, Joel S Freundlich, Sean Ekins
Correction to "Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery". Molecular pharmaceutics 18 (7) (2021)
Patricia A Vignaux, Eni Minerali, Thomas R Lane, Daniel H Foil, Peter B Madrid, Ana C Puhl, Sean Ekins
The Antiviral Drug Tilorone Is a Potent and Selective Inhibitor of Acetylcholinesterase. Chemical research in toxicology 34 (5) (2021)
Jennifer J Klein, Nancy C Baker, Daniel H Foil, Kimberley M Zorn, Fabio Urbina, Ana C Puhl, Sean Ekins
Correction to "Using Bibliometric Analysis and Machine Learning to Identify Compounds Binding to Sialidase-1". ACS omega 6 (24) (2021)
Jimmy S Patel, Javiera Norambuena, Hassan Al-Tameemi, Yong-Mo Ahn, Alexander L Perryman, Xin Wang, Samer S Daher, James Occi, Riccardo Russo, Steven Park, Matthew Zimmerman, Hsin-Pin Ho, David S Perlin, Veronique Anne Dartois, Sean Ekins, Pradeep Kumar, Nancy Connell, Jeffrey M Boyd, Joel S Freundlich
Bayesian Modeling and Intrabacterial Drug Metabolism Applied to Drug-Resistant Staphylococcus aureus. ACS infectious diseases 7 (8) (2021)
Maureen J Donlin, Thomas R Lane, Olga Riabova, Alexander Lepioshkin, Evan Xu, Jeffrey Lin, Vadim Makarov, Sean Ekins
Discovery of 5-Nitro-6-thiocyanatopyrimidines as Inhibitors of Cryptococcus neoformans and Cryptococcus gattii. ACS medicinal chemistry letters 12 (5) (2021)
Fabio Urbina, Kushal Batra, Kevin J Luebke, Jason D White, Daniel Matsiev, Lori L Olson, Jeremiah P Malerich, Maggie A Z Hupcey, Peter B Madrid, Sean Ekins
UV-adVISor: Attention-Based Recurrent Neural Networks to Predict UV-Vis Spectra. Analytical chemistry 93 (48) (2021)
Eni Minerali, Daniel H Foil, Kimberley M Zorn, Thomas R Lane, Sean Ekins
Comparing Machine Learning Algorithms for Predicting Drug-Induced Liver Injury (DILI). Molecular pharmaceutics 17 (7) (2020)
Kimberley M Zorn, Daniel H Foil, Thomas R Lane, Daniel P Russo, Wendy Hillwalker, David J Feifarek, Frank Jones, William D Klaren, Ashley M Brinkman, Sean Ekins
Machine Learning Models for Estrogen Receptor Bioactivity and Endocrine Disruption Prediction. Environmental science & technology 54 (19) (2020)
Nancy Baker, Antony J Williams, Alexander Tropsha, Sean Ekins
Repurposing Quaternary Ammonium Compounds as Potential Treatments for COVID-19. Pharmaceutical research 37 (6) (2020)
Sean Ekins, Ana C Puhl, Audrey Davidow
Repurposing the Dihydropyridine Calcium Channel Inhibitor Nicardipine as a Nav1.8 Inhibitor In Vivo for Pitt Hopkins Syndrome. Pharmaceutical research 37 (7) (2020)
Kimberley M Zorn, Daniel H Foil, Thomas R Lane, Wendy Hillwalker, David J Feifarek, Frank Jones, William D Klaren, Ashley M Brinkman, Sean Ekins
Comparison of Machine Learning Models for the Androgen Receptor. Environmental science & technology 54 (21) (2020)
Kimberley M Zorn, Daniel H Foil, Thomas R Lane, Wendy Hillwalker, David J Feifarek, Frank Jones, William D Klaren, Ashley M Brinkman, Sean Ekins
Comparing Machine Learning Models for Aromatase (P450 19A1). Environmental science & technology 54 (23) (2020)
Vadim Makarov, Elena Salina, Robert C Reynolds, Phyo Phyo Kyaw Zin, Sean Ekins
Molecule Property Analyses of Active Compounds for Mycobacterium tuberculosis. Journal of medicinal chemistry 63 (17) (2020)
Thomas R Lane, Daniel H Foil, Eni Minerali, Fabio Urbina, Kimberley M Zorn, Sean Ekins
Bioactivity Comparison across Multiple Machine Learning Algorithms Using over 5000 Datasets for Drug Discovery. Molecular pharmaceutics 18 (1) (2020)
Feng Wang, Derek R Moen, Chelsee Sauni, Shih-Hsin Kan, Shan Li, Steven Q Le, Brett Lomenick, Xiaoyi Zhang, Sean Ekins, Srikanth Singamsetty, Jill Wood, Patricia I Dickson, Tsui-Fen Chou
Enzyme Replacement Therapy for Mucopolysaccharidosis IIID using Recombinant Human α-N-Acetylglucosamine-6-Sulfatase in Neonatal Mice. Molecular pharmaceutics 18 (1) (2020)
Christopher James Sampson, Renée J G Arnold, Stirling Bryan, Philip M Clarke, Sean Ekins, Anthony James Hatswell, Neil Hawkins, Sue Langham, Deborah A Marshall, J Mark FitzGerald, William G Sullivan, Edward C F Wilson, Tim Wrightson
Transparency in Decision Modelling: What, Why, Who and How? PharmacoEconomics 37 (11) (2020)
Pan-Fen Wang, Alicia Neiner, Thomas R Lane, Kimberley M Zorn, Sean Ekins, Evan D Kharasch
Halogen Substitution Influences Ketamine Metabolism by Cytochrome P450 2B6: In Vitro and Computational Approaches. Molecular pharmaceutics 16 (2) (2019)
Suely Silva, Jacqueline Farinha Shimizu, Débora Moraes de Oliveira, Leticia Ribeiro de Assis, Cintia Bittar, Melina Mottin, Bruna Katiele de Paula Sousa, Nathalya Cristina de Moraes Roso Mesquita, Luis Octávio Regasini, Paula Rahal, Glaucius Oliva, Alexander Luke Perryman, Sean Ekins, Carolina Horta Andrade, Luiz Ricardo Goulart, Robinson Sabino-Silva, Andres Merits, Mark Harris, Ana Carolina Gomes Jardim
A diarylamine derived from anthranilic acid inhibits ZIKV replication. Scientific reports 9 (1) (2019)
Xin Wang, Alexander L Perryman, Shao-Gang Li, Steve D Paget, Thomas P Stratton, Alex Lemenze, Arthur J Olson, Sean Ekins, Pradeep Kumar, Joel S Freundlich
Intrabacterial Metabolism Obscures the Successful Prediction of an InhA Inhibitor of Mycobacterium tuberculosis. ACS infectious diseases 5 (12) (2019)
Sean Ekins, Jacob Gerlach, Kimberley M Zorn, Brett M Antonio, Zhixin Lin, Aaron Gerlach
Repurposing Approved Drugs as Inhibitors of Kv7.1 and Nav1.8 to Treat Pitt Hopkins Syndrome. Pharmaceutical research 36 (9) (2019)
Thomas R Lane, Christopher Massey, Jason E Comer, Manu Anantpadma, Joel S Freundlich, Robert A Davey, Peter B Madrid, Sean Ekins
Repurposing the antimalarial pyronaridine tetraphosphate to protect against Ebola virus infection. PLoS neglected tropical diseases 13 (11) (2019)
Sean Ekins, Ana C Puhl, Kimberley M Zorn, Thomas R Lane, Daniel P Russo, Jennifer J Klein, Anthony J Hickey, Alex M Clark
Exploiting machine learning for end-to-end drug discovery and development. Nature materials 18 (5) (2019)
Kimberley M Zorn, Thomas R Lane, Daniel P Russo, Alex M Clark, Vadim Makarov, Sean Ekins
Multiple Machine Learning Comparisons of HIV Cell-based and Reverse Transcriptase Data Sets. Molecular pharmaceutics 16 (4) (2019)
Miriam Braunstein, Anthony J Hickey, Sean Ekins
Why Wait? The Case for Treating Tuberculosis with Inhaled Drugs. Pharmaceutical research 36 (12) (2019)
Thomas Lane, Manu Anantpadma, Joel S Freundlich, Robert A Davey, Peter B Madrid, Sean Ekins
The Natural Product Eugenol Is an Inhibitor of the Ebola Virus In Vitro. Pharmaceutical research 36 (7) (2019)
Sean Ekins
Industrializing rare disease therapy discovery and development. Nature biotechnology 35 (2) (2018)
Daniel P Russo, Kimberley M Zorn, Alex M Clark, Hao Zhu, Sean Ekins
Comparing Multiple Machine Learning Algorithms and Metrics for Estrogen Receptor Binding Prediction. Molecular pharmaceutics 15 (10) (2018)
Thomas Lane, Daniel P Russo, Kimberley M Zorn, Alex M Clark, Alexandru Korotcov, Valery Tkachenko, Robert C Reynolds, Alexander L Perryman, Joel S Freundlich, Sean Ekins
Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery. Molecular pharmaceutics 15 (10) (2018)
Helen W Hernandez, Melinda Soeung, Kimberley M Zorn, Norah Ashoura, Melina Mottin, Carolina Horta Andrade, Conor R Caffrey, Jair Lage de Siqueira-Neto, Sean Ekins
High Throughput and Computational Repurposing for Neglected Diseases. Pharmaceutical research 36 (2) (2018)
Sean Ekins, Ethan O Perlstein
Doing it All - How Families are Reshaping Rare Disease Research. Pharmaceutical research 35 (10) (2018)
Antony J Williams, Lou Peck, Sean Ekins
The new alchemy: Online networking, data sharing and research activity distribution tools for scientists. F1000Research 6 (2017)
Alexandru Korotcov, Valery Tkachenko, Daniel P Russo, Sean Ekins
Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets. Molecular pharmaceutics 14 (12) (2017)
Sean Ekins, Natalie Diaz, Julia Chung, Paul Mathews, Aaron McMurtray
Enabling Anyone to Translate Clinically Relevant Ideas to Therapies. Pharmaceutical research 34 (1) (2016)
Pankaj Kumar, Amit Kaushik, Evan P Lloyd, Shao-Gang Li, Rohini Mattoo, Nicole C Ammerman, Drew T Bell, Alexander L Perryman, Trevor A Zandi, Sean Ekins, Stephan L Ginell, Craig A Townsend, Joel S Freundlich, Gyanu Lamichhane
Non-classical transpeptidases yield insight into new antibacterials. Nature chemical biology 13 (1) (2016)
Sean Ekins
The Next Era: Deep Learning in Pharmaceutical Research. Pharmaceutical research 33 (11) (2016)

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Publication Activity (10 Years)

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Sean Ekins