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Novel approaches to address challenges in global drug development.

Clinical pharmacology and therapeutics

Smith BP, Huang SM.
PMID: 25669768
Clin Pharmacol Ther. 2015 Mar;97(3):196-9. doi: 10.1002/cpt.62. Epub 2015 Jan 22.

No abstract available.

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Smith BP, Huang SM. Novel approaches to address challenges in global drug development. Clin Pharmacol Ther. 2015;97(3):196-9doi: 10.1002/cpt.62.
Smith, B. P., & Huang, S. M. (2015). Novel approaches to address challenges in global drug development. Clinical pharmacology and therapeutics, 97(3), 196-9. https://doi.org/10.1002/cpt.62
Smith, B P, and Huang, S-M. "Novel approaches to address challenges in global drug development." Clinical pharmacology and therapeutics vol. 97,3 (2015): 196-9. doi: https://doi.org/10.1002/cpt.62
Smith BP, Huang SM. Novel approaches to address challenges in global drug development. Clin Pharmacol Ther. 2015 Mar;97(3):196-9. doi: 10.1002/cpt.62. Epub 2015 Jan 22. PMID: 25669768.
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A Brief Review of Computer-Assisted Approaches to Rational Design of Peptide Vaccines.

International journal of molecular sciences

Nandy A, Basak SC.
PMID: 27153063
Int J Mol Sci. 2016 May 04;17(5). doi: 10.3390/ijms17050666.

The growing incidences of new viral diseases and increasingly frequent viral epidemics have strained therapeutic and preventive measures; the high mutability of viral genes puts additional strains on developmental efforts. Given the high cost and time requirements for new...

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Nandy A, Basak SC. A Brief Review of Computer-Assisted Approaches to Rational Design of Peptide Vaccines. Int J Mol Sci. 2016;17(5)doi: 10.3390/ijms17050666.
Nandy, A., & Basak, S. C. (2016). A Brief Review of Computer-Assisted Approaches to Rational Design of Peptide Vaccines. International journal of molecular sciences, 17(5), . https://doi.org/10.3390/ijms17050666
Nandy, Ashesh, and Basak, Subhash C. "A Brief Review of Computer-Assisted Approaches to Rational Design of Peptide Vaccines." International journal of molecular sciences vol. 17,5 (2016). doi: https://doi.org/10.3390/ijms17050666
Nandy A, Basak SC. A Brief Review of Computer-Assisted Approaches to Rational Design of Peptide Vaccines. Int J Mol Sci. 2016 May 04;17(5). doi: 10.3390/ijms17050666. PMID: 27153063; PMCID: PMC4881492.
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News & Analysis: new initiative aims to improve success of early stage drug discovery.

Future medicinal chemistry

Coaker H.
PMID: 24941869
Future Med Chem. 2014 May;6(7):733. doi: 10.4155/fmc.14.61.

No abstract available.

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Coaker H. News & Analysis: new initiative aims to improve success of early stage drug discovery. Future Med Chem. 2014;6(7):733doi: 10.4155/fmc.14.61.
Coaker, H. (2014). News & Analysis: new initiative aims to improve success of early stage drug discovery. Future medicinal chemistry, 6(7), 733. https://doi.org/10.4155/fmc.14.61
Coaker, Hannah. "News & Analysis: new initiative aims to improve success of early stage drug discovery." Future medicinal chemistry vol. 6,7 (2014): 733. doi: https://doi.org/10.4155/fmc.14.61
Coaker H. News & Analysis: new initiative aims to improve success of early stage drug discovery. Future Med Chem. 2014 May;6(7):733. doi: 10.4155/fmc.14.61. PMID: 24941869.
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Bigger data, collaborative tools and the future of predictive drug discovery.

Journal of computer-aided molecular design

Ekins S, Clark AM, Swamidass SJ, Litterman N, Williams AJ.
PMID: 24943138
J Comput Aided Mol Des. 2014 Oct;28(10):997-1008. doi: 10.1007/s10822-014-9762-y. Epub 2014 Jun 19.

Over the past decade we have seen a growth in the provision of chemistry data and cheminformatics tools as either free websites or software as a service commercial offerings. These have transformed how we find molecule-related data and use...

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Ekins S, Clark AM, Swamidass SJ, et al. Bigger data, collaborative tools and the future of predictive drug discovery. J Comput Aided Mol Des. 2014;28(10):997-1008doi: 10.1007/s10822-014-9762-y.
Ekins, S., Clark, A. M., Swamidass, S. J., Litterman, N., & Williams, A. J. (2014). Bigger data, collaborative tools and the future of predictive drug discovery. Journal of computer-aided molecular design, 28(10), 997-1008. https://doi.org/10.1007/s10822-014-9762-y
Ekins, Sean, et al. "Bigger data, collaborative tools and the future of predictive drug discovery." Journal of computer-aided molecular design vol. 28,10 (2014): 997-1008. doi: https://doi.org/10.1007/s10822-014-9762-y
Ekins S, Clark AM, Swamidass SJ, Litterman N, Williams AJ. Bigger data, collaborative tools and the future of predictive drug discovery. J Comput Aided Mol Des. 2014 Oct;28(10):997-1008. doi: 10.1007/s10822-014-9762-y. Epub 2014 Jun 19. PMID: 24943138; PMCID: PMC4198464.
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Technical Advances in Medicinal Chemistry.

ACS combinatorial science

Finn MG.
PMID: 28374995
ACS Comb Sci. 2017 May 08;19(5):277-278. doi: 10.1021/acscombsci.7b00053. Epub 2017 Apr 04.

No abstract available.

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Finn MG. Technical Advances in Medicinal Chemistry. ACS Comb Sci. 2017;19(5):277-278doi: 10.1021/acscombsci.7b00053.
Finn, M. G. (2017). Technical Advances in Medicinal Chemistry. ACS combinatorial science, 19(5), 277-278. https://doi.org/10.1021/acscombsci.7b00053
Finn, M G. "Technical Advances in Medicinal Chemistry." ACS combinatorial science vol. 19,5 (2017): 277-278. doi: https://doi.org/10.1021/acscombsci.7b00053
Finn MG. Technical Advances in Medicinal Chemistry. ACS Comb Sci. 2017 May 08;19(5):277-278. doi: 10.1021/acscombsci.7b00053. Epub 2017 Apr 04. PMID: 28374995.
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Ian Tomlinson.

Nature reviews. Drug discovery

Tomlinson I.
PMID: 26893183
Nat Rev Drug Discov. 2016 Mar;15(3):154. doi: 10.1038/nrd.2016.22. Epub 2016 Feb 19.

No abstract available.

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Tomlinson I. Ian Tomlinson. Nat Rev Drug Discov. 2016;15(3):154doi: 10.1038/nrd.2016.22.
Tomlinson, I. (2016). Ian Tomlinson. Nature reviews. Drug discovery, 15(3), 154. https://doi.org/10.1038/nrd.2016.22
Tomlinson, Ian. "Ian Tomlinson." Nature reviews. Drug discovery vol. 15,3 (2016): 154. doi: https://doi.org/10.1038/nrd.2016.22
Tomlinson I. Ian Tomlinson. Nat Rev Drug Discov. 2016 Mar;15(3):154. doi: 10.1038/nrd.2016.22. Epub 2016 Feb 19. PMID: 26893183.
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Embedding sustainable practices into pharmaceutical R&D: what are the challenges?.

Future medicinal chemistry

Sneddon H.
PMID: 25329193
Future Med Chem. 2014;6(12):1373-6. doi: 10.4155/fmc.14.91.

No abstract available.

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Sneddon H. Embedding sustainable practices into pharmaceutical R&D: what are the challenges?. Future Med Chem. 2014;6(12):1373-6doi: 10.4155/fmc.14.91.
Sneddon, H. (2014). Embedding sustainable practices into pharmaceutical R&D: what are the challenges?. Future medicinal chemistry, 6(12), 1373-6. https://doi.org/10.4155/fmc.14.91
Sneddon, Helen. "Embedding sustainable practices into pharmaceutical R&D: what are the challenges?." Future medicinal chemistry vol. 6,12 (2014): 1373-6. doi: https://doi.org/10.4155/fmc.14.91
Sneddon H. Embedding sustainable practices into pharmaceutical R&D: what are the challenges?. Future Med Chem. 2014;6(12):1373-6. doi: 10.4155/fmc.14.91. PMID: 25329193.
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Support vector machines for drug discovery.

Expert opinion on drug discovery

Heikamp K, Bajorath J.
PMID: 24304044
Expert Opin Drug Discov. 2014 Jan;9(1):93-104. doi: 10.1517/17460441.2014.866943. Epub 2013 Dec 05.

INTRODUCTION: Support vector machines (SVMs) are supervised machine learning algorithms for binary class label prediction and regression-based prediction of property values. In recent years, SVMs have become increasingly popular for drug discovery-relevant applications such as compound classification, the search...

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Heikamp K, Bajorath J. Support vector machines for drug discovery. Expert Opin Drug Discov. 2013;9(1):93-104doi: 10.1517/17460441.2014.866943.
Heikamp, K., & Bajorath, J. (2014). Support vector machines for drug discovery. Expert opinion on drug discovery, 9(1), 93-104. https://doi.org/10.1517/17460441.2014.866943
Heikamp, Kathrin, and Bajorath, Jürgen. "Support vector machines for drug discovery." Expert opinion on drug discovery vol. 9,1 (2014): 93-104. doi: https://doi.org/10.1517/17460441.2014.866943
Heikamp K, Bajorath J. Support vector machines for drug discovery. Expert Opin Drug Discov. 2014 Jan;9(1):93-104. doi: 10.1517/17460441.2014.866943. Epub 2013 Dec 05. PMID: 24304044.
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Systematic generation of chemical structures for rational drug design based on QSAR models.

Current computer-aided drug design

Funatsu K, Miyao T, Arakawa M.
PMID: 20550510
Curr Comput Aided Drug Des. 2011 Mar;7(1):1-9. doi: 10.2174/157340911793743556.

The first step in the process of drug development is to determine those lead compounds that demonstrate significant biological activity with regard to a target protein. Because this process is often costly and time consuming, there is a need...

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Funatsu K, Miyao T, Arakawa M. Systematic generation of chemical structures for rational drug design based on QSAR models. Curr Comput Aided Drug Des. 2011;7(1):1-9doi: 10.2174/157340911793743556.
Funatsu, K., Miyao, T., & Arakawa, M. (2011). Systematic generation of chemical structures for rational drug design based on QSAR models. Current computer-aided drug design, 7(1), 1-9. https://doi.org/10.2174/157340911793743556
Funatsu, Kimito, et al. "Systematic generation of chemical structures for rational drug design based on QSAR models." Current computer-aided drug design vol. 7,1 (2011): 1-9. doi: https://doi.org/10.2174/157340911793743556
Funatsu K, Miyao T, Arakawa M. Systematic generation of chemical structures for rational drug design based on QSAR models. Curr Comput Aided Drug Des. 2011 Mar;7(1):1-9. doi: 10.2174/157340911793743556. PMID: 20550510.
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Fragment screening using X-ray crystallography.

Topics in current chemistry

Davies TG, Tickle IJ.
PMID: 21678136
Top Curr Chem. 2012;317:33-59. doi: 10.1007/128_2011_179.

The fragment-based approach is now well established as an important component of modern drug discovery. A key part in establishing its position as a viable technique has been the development of a range of biophysical methodologies with sufficient sensitivity...

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Davies TG, Tickle IJ. Fragment screening using X-ray crystallography. Top Curr Chem. 2012;317:33-59doi: 10.1007/128_2011_179.
Davies, T. G., & Tickle, I. J. (2012). Fragment screening using X-ray crystallography. Topics in current chemistry, 31733-59. https://doi.org/10.1007/128_2011_179
Davies, Thomas G, and Tickle, Ian J. "Fragment screening using X-ray crystallography." Topics in current chemistry vol. 317 (2012): 33-59. doi: https://doi.org/10.1007/128_2011_179
Davies TG, Tickle IJ. Fragment screening using X-ray crystallography. Top Curr Chem. 2012;317:33-59. doi: 10.1007/128_2011_179. PMID: 21678136.
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Molecular fields in drug discovery: getting old or reaching maturity?.

Drug discovery today

Cross S, Cruciani G.
PMID: 19150413
Drug Discov Today. 2010 Jan;15(1):23-32. doi: 10.1016/j.drudis.2008.12.006. Epub 2009 Jan 14.

With GRID first published 23 years ago, and CoMFA 20 years ago, the two most widely known methods that apply molecular fields to drug discovery are now into their third decade. Are molecular-field-based methods still applicable to modern drug...

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Cross S, Cruciani G. Molecular fields in drug discovery: getting old or reaching maturity?. Drug Discov Today. 2009;15(1):23-32doi: 10.1016/j.drudis.2008.12.006.
Cross, S., & Cruciani, G. (2010). Molecular fields in drug discovery: getting old or reaching maturity?. Drug discovery today, 15(1), 23-32. https://doi.org/10.1016/j.drudis.2008.12.006
Cross, Simon, and Cruciani, Gabriele. "Molecular fields in drug discovery: getting old or reaching maturity?." Drug discovery today vol. 15,1 (2010): 23-32. doi: https://doi.org/10.1016/j.drudis.2008.12.006
Cross S, Cruciani G. Molecular fields in drug discovery: getting old or reaching maturity?. Drug Discov Today. 2010 Jan;15(1):23-32. doi: 10.1016/j.drudis.2008.12.006. Epub 2009 Jan 14. PMID: 19150413.
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Network analyses in systems pharmacology.

Bioinformatics (Oxford, England)

Berger SI, Iyengar R.
PMID: 19648136
Bioinformatics. 2009 Oct 01;25(19):2466-72. doi: 10.1093/bioinformatics/btp465. Epub 2009 Jul 30.

Systems pharmacology is an emerging area of pharmacology which utilizes network analysis of drug action as one of its approaches. By considering drug actions and side effects in the context of the regulatory networks within which the drug targets...

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Berger SI, Iyengar R. Network analyses in systems pharmacology. Bioinformatics. 2009;25(19):2466-72doi: 10.1093/bioinformatics/btp465.
Berger, S. I., & Iyengar, R. (2009). Network analyses in systems pharmacology. Bioinformatics (Oxford, England), 25(19), 2466-72. https://doi.org/10.1093/bioinformatics/btp465
Berger, Seth I, and Iyengar, Ravi. "Network analyses in systems pharmacology." Bioinformatics (Oxford, England) vol. 25,19 (2009): 2466-72. doi: https://doi.org/10.1093/bioinformatics/btp465
Berger SI, Iyengar R. Network analyses in systems pharmacology. Bioinformatics. 2009 Oct 01;25(19):2466-72. doi: 10.1093/bioinformatics/btp465. Epub 2009 Jul 30. PMID: 19648136; PMCID: PMC2752618.
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Showing 1 to 12 of 226 entries