Sean Ekins: search on Z-Library

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1

Exploiting machine learning for end-to-end drug discovery and development

Ekins, Sean, Puhl, Ana C., Zorn, Kimberley M., Lane, Thomas R., Russo, Daniel P., Klein, Jennifer J., Hickey, Anthony J., Clark, Alex M.

Journal:

Nature Materials

Year:

2019

Language:

english

File:

PDF, 1.28 MB

english, 2019

2

Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Datasets

Korotcov, Alexandru, Tkachenko, Valery, Russo, Daniel P., Ekins, Sean

Journal:

Molecular Pharmaceutics

Year:

2017

Language:

english

File:

PDF, 2.17 MB

english, 2017

3

Transparency in Decision Modelling: What, Why, Who and How?

Sampson, Christopher James, Arnold, Renée, Bryan, Stirling, Clarke, Philip, Ekins, Sean, Hatswell, Anthony, Hawkins, Neil, Langham, Sue, Marshall, Deborah, Sadatsafavi, Mohsen, Sullivan, Will, Wilson,

Journal:

PharmacoEconomics

Year:

2019

Language:

english

File:

PDF, 981 KB

english, 2019

4

In silico methods for predicting drug–drug interactions with cytochrome P-450s, transporters and beyond

Ai, Ni, Fan, Xiaohui, Ekins, Sean

Journal:

Advanced Drug Delivery Reviews

Year:

2015

Language:

english

File:

PDF, 1.02 MB

english, 2015

5

Comparing Multiple Machine Learning Algorithms and Metrics for Estrogen Receptor Binding Prediction

Russo, Daniel P., Zorn, Kimberley M, Clark, Alex Michael, Zhu, Hao, Ekins, Sean

Journal:

Molecular Pharmaceutics

Year:

2018

Language:

english

File:

PDF, 1.98 MB

english, 2018

6

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

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

Journal:

Pathogens and Disease

Year:

2020

File:

PDF, 1.01 MB

2020

7

Doing it All - How Families are Reshaping Rare Disease Research

Ekins, Sean, Perlstein, Ethan O.

Journal:

Pharmaceutical Research

Year:

2018

Language:

english

File:

PDF, 1.05 MB

english, 2018

8

The Next Era: Deep Learning in Pharmaceutical Research

Journal:

Pharmaceutical Research

Year:

2016

Language:

english

File:

PDF, 759 KB

english, 2016

9

Computer Applications in Pharmaceutical Research and Development (Ekins/Computer Applications in Pharmaceutical Research and Development) || Computer Simulations in Pharmacokinetics and Pharmacodynamics: Rediscovering Systems Physiology in the 21st Century

Year:

2006

Language:

english

File:

PDF, 199 KB

english, 2006

10

Industrializing rare disease therapy discovery and development

Journal:

Nature Biotechnology

Year:

2017

Language:

english

File:

PDF, 88 KB

english, 2017

11

Methanotrophic bacterial symbionts fuel dense populations of deep-sea feather duster worms (Sabellida, Annelida) and extend the spatial influence of methane seepage

Goffredi, Shana K., Tilic, Ekin, Mullin, Sean W., Dawson, Katherine S., Keller, Abigail, Lee, Raymond W., Wu, Fabai, Levin, Lisa A., Rouse, Greg W., Cordes, Erik E., Orphan, Victoria J.

Journal:

Science Advances

Year:

2020

Language:

english

File:

PDF, 3.79 MB

english, 2020

12

Combining machine learning and approaches to identify potential chaperones for lysosomal diseases

Puhl, Ana C., Klein, Jennifer J., Vignaux, Patricia, Foil, Daniel, Zorn, Kimberley M., Ekins, Sean

Journal:

Molecular Genetics and Metabolism

Year:

2020

File:

PDF, 329 KB

2020

13

Pharmacophore modeling of cytochromes P450

Marcel J. de Groot, Sean Ekins

Journal:

Advanced Drug Delivery Reviews

Year:

2002

Language:

english

File:

PDF, 659 KB

english, 2002

14

Ecopath with Ecosim as a model-building toolbox: Source code capabilities, extensions, and variations

Steenbeek, Jeroen, Buszowski, Joe, Christensen, Villy, Akoglu, Ekin, Aydin, Kerim, Ellis, Nick, Felinto, Dalai, Guitton, Jerome, Lucey, Sean, Kearney, Kelly, Mackinson, Steven, Pan, Mike, Platts, Mark

Journal:

Ecological Modelling

Year:

2015

Language:

english

File:

PDF, 2.07 MB

english, 2015

15

Bacterial Peptide Recognition and Immune Activation Facilitated by Human Peptide Transporter PEPT2

Swaan, Peter W., Bensman, Timothy, Bahadduri, Praveen M., Hall, Mark W., Sarkar, Anasuya, Bao, Shengying, Khantwal, Chandra M., Ekins, Sean, Knoell, Daren L.

Journal:

American Journal of Respiratory Cell and Molecular Biology

Year:

2008

Language:

english

File:

PDF, 396 KB

english, 2008

16

A bibliometric review of drug repurposing

Baker, Nancy C., Ekins, Sean, Williams, Antony J., Tropsha, Alexander

Journal:

Drug Discovery Today

Year:

2018

Language:

english

File:

PDF, 349 KB

english, 2018

17

Troubleshooting computational methods in drug discovery

Sandhya Kortagere, Sean Ekins

Journal:

Journal of Pharmacological and Toxicological Methods

Year:

2010

Language:

english

File:

PDF, 752 KB

english, 2010

18

Scale-up processing of recombinant human glucosamine (n-acetyl)-6-sulfatase for the treatment of mucopolysaccharidosis type IIID

Moen, Derek R, Chen, Mengqing, Kan, Shih-hsin, Steven, Le Q, Wood, Jill, Ekins, Sean, Chou, Tsui-Fen, Dickson, Patricia I

Journal:

Molecular Genetics and Metabolism

Year:

2017

Language:

english

File:

PDF, 48 KB

english, 2017

19

A generalizable pre-clinical research approach for orphan disease therapy

Chandree L Beaulieu, Mark E Samuels, Sean Ekins, Christopher R McMaster, Aled M Edwards, Adrian R Krainer, Geoffrey G Hicks, Brendan J Frey, Kym M Boycott, Alex E MacKenzie

Journal:

Orphanet Journal of Rare Diseases

Year:

2012

Language:

english

File:

PDF, 297 KB

english, 2012

20

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

Lane, Thomas R., Dyall, Julie, Mercer, Luke, Goodin, Caleb, Foil, Daniel H., Zhou, Huanying, Postnikova, Elena, Liang, Janie Y., Holbrook, Michael R., Madrid, Peter B., Ekins, Sean

Journal:

Antiviral Research

Year:

2020

File:

PDF, 3.43 MB

2020

21

A hybrid approach to advancing quantitative prediction of tissue distribution of basic drugs in human

Patrick Poulin, Sean Ekins, Frank-Peter Theil

Journal:

Toxicology and Applied Pharmacology

Year:

2011

Language:

english

File:

PDF, 2.51 MB

english, 2011

22

Progress in predicting human ADME parameters in silico

Sean Ekins, Chris L Waller, Peter W Swaan, Gabriele Cruciani, Steven A Wrighton, James H Wikel

Journal:

Journal of Pharmacological and Toxicological Methods

Year:

2000

Language:

english

File:

PDF, 1.26 MB

english, 2000

23

Efficacy of Tilorone Dihydrochloride against Ebola Virus Infection

Ekins, Sean, Lingerfelt, Mary A., Comer, Jason E., Freiberg, Alexander N., Mirsalis, Jon C., O'Loughlin, Kathleen, Harutyunyan, Anush, McFarlane, Claire, Green, Carol E., Madrid, Peter B.

Journal:

Antimicrobial Agents and Chemotherapy

Year:

2017

Language:

english

File:

PDF, 1.02 MB

english, 2017

24

The Natural Product Eugenol Is an Inhibitor of the Ebola Virus In Vitro

Lane, Thomas, Anantpadma, Manu, Freundlich, Joel S., Davey, Robert A., Madrid, Peter B., Ekins, Sean

Journal:

Pharmaceutical Research

Year:

2019

Language:

english

File:

PDF, 1.19 MB

english, 2019

25

Mobile apps for chemistry in the world of drug discovery

Antony J. Williams, Sean Ekins, Alex M. Clark, J. James Jack, Richard L. Apodaca

Journal:

Drug Discovery Today

Year:

2011

Language:

english

File:

PDF, 2.89 MB

english, 2011

26

A Virtual Screen Discovers Novel, Fragment-Sized Inhibitors of Mycobacterium tuberculosis InhA

Perryman, Alexander L., Yu, Weixuan, Wang, Xin, Ekins, Sean, Forli, Stefano, Li, Shao-Gang, Freundlich, Joel S., Tonge, Peter J., Olson, Arthur J.

Journal:

Journal of Chemical Information and Modeling

Year:

2015

Language:

english

File:

PDF, 2.07 MB

english, 2015

27

Data mining and machine learning for lysosomal disease drug discovery and beyond

Klein, Jennifer J., Baker, Nancy C., Zorn, Kimberley M., Russo, Daniel P., Rubio, Ana P., Clark, Alex M., Ekins, Sean

Journal:

Molecular Genetics and Metabolism

Year:

2019

Language:

english

File:

PDF, 120 KB

english, 2019

28

Progress in computational toxicology

Journal:

Journal of Pharmacological and Toxicological Methods

Year:

2014

Language:

english

File:

PDF, 6.77 MB

english, 2014

29

Application of in silico approaches to predicting drug–drug interactions

Sean Ekins, Steven A Wrighton

Journal:

Journal of Pharmacological and Toxicological Methods

Year:

2001

Language:

english

File:

PDF, 252 KB

english, 2001

30

Application of data mining approaches to drug delivery

Sean Ekins, Jun Shimada, Cheng Chang

Journal:

Advanced Drug Delivery Reviews

Year:

2006

Language:

english

File:

PDF, 1.44 MB

english, 2006

31

Effects of Antipsychotic Drugs onIto,INa,Isus,IK1, and hERG: QT Prolongation, Structure Activity Relationship, and Network Analysis

William J. Crumb, Sean Ekins, R. Dustan Sarazan, James H. Wikel, Steven A. Wrighton, Christopher Carlson, Charles M. Beasley

Journal:

Pharmaceutical Research

Year:

2006

Language:

english

File:

PDF, 617 KB

english, 2006

32

Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation

Antony J. Williams, Sean Ekins, Valery Tkachenko

Journal:

Drug Discovery Today

Year:

2012

Language:

english

File:

PDF, 2.49 MB

english, 2012

33

Molecule Property Analyses of Active Compounds for Mycobacterium Tuberculosis

Makarov, Vadim, Salina, Elena, Reynolds, Robert C., Kyaw Zin, Phyo Phyo, Ekins, Sean

Journal:

Journal of Medicinal Chemistry

Year:

2020

Language:

english

File:

PDF, 1.17 MB

english, 2020

34

Evolving molecules using multi-objective optimization: applying to ADME/Tox

Sean Ekins, J. Dana Honeycutt, James T. Metz

Journal:

Drug Discovery Today

Year:

2010

Language:

english

File:

PDF, 752 KB

english, 2010

35

Modeling of active transport systems

Eric Y Zhang, Mitch A Phelps, Chang Cheng, Sean Ekins, Peter W Swaan

Journal:

Advanced Drug Delivery Reviews

Year:

2002

Language:

english

File:

PDF, 1.13 MB

english, 2002

36

Machine Learning Methods and Docking for Predicting Human Pregnane X Receptor Activation

Khandelwal, Akash, Krasowski, Matthew D., Reschly, Erica J., Sinz, Michael W., Swaan, Peter W., Ekins, Sean

Journal:

Chemical Research in Toxicology

Year:

2008

Language:

english

File:

PDF, 402 KB

english, 2008

37

A retrospective randomized study of asthma control in the US: results of the CHARIOT study

Marcus, Philip, Arnold, Renée J.G., Ekins, Sean, Sacco, Patricia, Massanari, Marc, Stanley Young, S., Donohue, James, Bukstein, Don

Journal:

Current Medical Research and Opinion

Year:

2008

Language:

english

File:

PDF, 140 KB

english, 2008

38

Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG

Mori, Giorgia, Chiarelli, Laurent R., Esposito, Marta, Makarov, Vadim, Bellinzoni, Marco, Hartkoorn, Ruben C., Degiacomi, Giulia, Boldrin, Francesca, Ekins, Sean, de Jesus Lopes Ribeiro, Ana Luisa, Ma

Journal:

Chemistry & Biology

Year:

2015

Language:

english

File:

PDF, 2.72 MB

english, 2015

39

Machine Learning Model Analysis and Data Visualization with Small Molecules Tested in a Mouse Model of Mycobacterium tuberculosis Infection (2014-2015)

Ekins, Sean, Perryman, Alexander Luke, Clark, Alex Michael, Reynolds, Robert C., Freundlich, Joel Stephen

Journal:

Journal of Chemical Information and Modeling

Year:

2016

Language:

english

File:

PDF, 1.55 MB

english, 2016

40

Cheminformatics Analysis and Modeling with MacrolactoneDB

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

Journal:

Scientific Reports

Year:

2020

File:

PDF, 4.29 MB

2020

41

Drug Efficacy, Safety, and Biologics Discovery || Toxicity Pathways and Models: Mining for Potential Side Effects

Ekins, Sean, Xu, Jinghai J.

Year:

2008

File:

PDF, 649 KB

2008

42

ChemInform Abstract: Three-Dimensional Quantitative Structure—Permeability Relationship Analysis for a Series of Inhibitors of Rhinovirus Replication.

Sean Ekins, Gregory L. Durst, Robert E. Stratford, David A. Thorner, Richard Lewis, Richard J. Loncharich, James H. Wikel

Journal:

Year:

2002

File:

PDF, 25 KB

2002

43

Computational Toxicology Volume 24/B || An Introduction to Toxicology and Its Methodologies

Year:

2007

Language:

english

File:

PDF, 189 KB

english, 2007

44

Integrating computer-based de novo drug design and multidimensional filtering for desirable drugs

Jun Shimada, Sean Ekins, Carl Elkin, Eugene I. Shakhnovich, Jean-Pierre Wery

Journal:

Year:

2002

Language:

english

File:

PDF, 229 KB

english, 2002

45

Computational Toxicology || Crystal Structures of Toxicology Targets

Year:

2007

Language:

english

File:

PDF, 7.64 MB

english, 2007

46

Evaluation of Computational Docking to Identify Pregnane X Receptor Agonists in the ToxCast Database

Kortagere, Sandhya, Krasowski, Matthew D., Reschly, Erica J., Venkatesh, Madhukumar, Mani, Sridhar, Ekins, Sean

Journal:

Environmental Health Perspectives

Year:

2010

Language:

english

File:

PDF, 370 KB

english, 2010

47

Computational Toxicology || Applications of QSAR Methods to Ion Channels

Year:

2007

Language:

english

File:

PDF, 1.66 MB

english, 2007

48

How our approach for Sanfilippo syndrome could be a prototype for industrializing rare disease drug discovery and development

Wood, JIll, Ekins, Sean

Journal:

Molecular Genetics and Metabolism

Year:

2017

Language:

english

File:

PDF, 46 KB

english, 2017

49

Computer Applications in Pharmaceutical Research and Development (Ekins/Computer Applications in Pharmaceutical Research and Development) || Frontmatter

Year:

2006

Language:

english

File:

PDF, 171 KB

english, 2006

50

Drug Efficacy, Safety, and Biologics Discovery || Focus on the Fundamentals: Toward Better Therapeutic Index Prediction

Ekins, Sean, Xu, Jinghai J.

Year:

2008

Language:

english

File:

PDF, 489 KB

english, 2008

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