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Results: 18

1.

Looking Back to the Future: Predicting in Vivo Efficacy of Small Molecules versus Mycobacterium tuberculosis.

Ekins S, Pottorf R, Reynolds RC, Williams AJ, Clark AM, Freundlich JS.

J Chem Inf Model. 2014 Apr 3. [Epub ahead of print]

PMID:
24665947
[PubMed - as supplied by publisher]
2.

Curing TB with open science.

Ekins S, Williams AJ.

Tuberculosis (Edinb). 2014 Mar;94(2):183-5. doi: 10.1016/j.tube.2013.10.002. Epub 2013 Oct 24.

PMID:
24388836
[PubMed - in process]
3.

Dispensing processes impact apparent biological activity as determined by computational and statistical analyses.

Ekins S, Olechno J, Williams AJ.

PLoS One. 2013 May 1;8(5):e62325. doi: 10.1371/journal.pone.0062325. Print 2013.

PMID:
23658723
[PubMed - indexed for MEDLINE]
Free PMC Article
4.

Open Drug Discovery Teams: A Chemistry Mobile App for Collaboration.

Ekins S, Clark AM, Williams AJ.

Mol Inform. 2012 Aug;31(8):585-597. Epub 2012 Aug 6.

PMID:
23198003
[PubMed]
Free PMC Article
5.

Redefining Cheminformatics with Intuitive Collaborative Mobile Apps.

Clark AM, Ekins S, Williams AJ.

Mol Inform. 2012 Aug;31(8):569-584. Epub 2012 Jul 4.

PMID:
23198002
[PubMed]
Free PMC Article
6.

Challenges and recommendations for obtaining chemical structures of industry-provided repurposing candidates.

Southan C, Williams AJ, Ekins S.

Drug Discov Today. 2013 Jan;18(1-2):58-70. doi: 10.1016/j.drudis.2012.11.005. Epub 2012 Nov 15. Review.

PMID:
23159359
[PubMed - indexed for MEDLINE]
7.

Four disruptive strategies for removing drug discovery bottlenecks.

Ekins S, Waller CL, Bradley MP, Clark AM, Williams AJ.

Drug Discov Today. 2013 Mar;18(5-6):265-71. doi: 10.1016/j.drudis.2012.10.007. Epub 2012 Oct 23.

PMID:
23098820
[PubMed - indexed for MEDLINE]
8.

Why open drug discovery needs four simple rules for licensing data and models.

Williams AJ, Wilbanks J, Ekins S.

PLoS Comput Biol. 2012;8(9):e1002706. doi: 10.1371/journal.pcbi.1002706. Epub 2012 Sep 27.

PMID:
23028298
[PubMed - indexed for MEDLINE]
Free PMC Article
9.

Accessing, using, and creating chemical property databases for computational toxicology modeling.

Williams AJ, Ekins S, Spjuth O, Willighagen EL.

Methods Mol Biol. 2012;929:221-41.

PMID:
23007432
[PubMed - indexed for MEDLINE]
10.

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

Williams AJ, Ekins S, Tkachenko V.

Drug Discov Today. 2012 Jul;17(13-14):685-701. doi: 10.1016/j.drudis.2012.02.013. Epub 2012 Mar 8. Review.

PMID:
22426180
[PubMed - indexed for MEDLINE]
11.

Mobile apps for chemistry in the world of drug discovery.

Williams AJ, Ekins S, Clark AM, Jack JJ, Apodaca RL.

Drug Discov Today. 2011 Nov;16(21-22):928-39. doi: 10.1016/j.drudis.2011.09.002. Epub 2011 Sep 6. Review.

PMID:
21924376
[PubMed - indexed for MEDLINE]
12.

A quality alert and call for improved curation of public chemistry databases.

Williams AJ, Ekins S.

Drug Discov Today. 2011 Sep;16(17-18):747-50. doi: 10.1016/j.drudis.2011.07.007. Epub 2011 Jul 30.

PMID:
21871970
[PubMed - indexed for MEDLINE]
13.

Finding promiscuous old drugs for new uses.

Ekins S, Williams AJ.

Pharm Res. 2011 Aug;28(8):1785-91. doi: 10.1007/s11095-011-0486-6. Epub 2011 May 24.

PMID:
21607776
[PubMed - indexed for MEDLINE]
14.

In silico repositioning of approved drugs for rare and neglected diseases.

Ekins S, Williams AJ, Krasowski MD, Freundlich JS.

Drug Discov Today. 2011 Apr;16(7-8):298-310. doi: 10.1016/j.drudis.2011.02.016. Epub 2011 Mar 1. Review.

PMID:
21376136
[PubMed - indexed for MEDLINE]
15.

A predictive ligand-based Bayesian model for human drug-induced liver injury.

Ekins S, Williams AJ, Xu JJ.

Drug Metab Dispos. 2010 Dec;38(12):2302-8. doi: 10.1124/dmd.110.035113. Epub 2010 Sep 15.

PMID:
20843939
[PubMed - indexed for MEDLINE]
Free Article
16.

When pharmaceutical companies publish large datasets: an abundance of riches or fool's gold?

Ekins S, Williams AJ.

Drug Discov Today. 2010 Oct;15(19-20):812-5. doi: 10.1016/j.drudis.2010.08.010. Epub 2010 Aug 21.

PMID:
20732447
[PubMed - indexed for MEDLINE]
17.

Reaching out to collaborators: crowdsourcing for pharmaceutical research.

Ekins S, Williams AJ.

Pharm Res. 2010 Mar;27(3):393-5. doi: 10.1007/s11095-010-0059-0. Epub 2010 Jan 27. No abstract available.

PMID:
20107873
[PubMed - indexed for MEDLINE]
18.

Precompetitive preclinical ADME/Tox data: set it free on the web to facilitate computational model building and assist drug development.

Ekins S, Williams AJ.

Lab Chip. 2010 Jan 7;10(1):13-22. doi: 10.1039/b917760b. Epub 2009 Nov 10.

PMID:
20024044
[PubMed - indexed for MEDLINE]

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