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Editorial: Advances in cheminformatics: drug discovery, computational toxicology and nanomaterials (part I).

Combinatorial chemistry & high throughput screening

Melagraki G, Afantitis A.
PMID: 25929702
Comb Chem High Throughput Screen. 2015;18(3):236-7. doi: 10.2174/138620731803150423131038.

No abstract available.

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Melagraki G, Afantitis A. Editorial: Advances in cheminformatics: drug discovery, computational toxicology and nanomaterials (part I). Comb Chem High Throughput Screen. 2015;18(3):236-7doi: 10.2174/138620731803150423131038.
Melagraki, G., & Afantitis, A. (2015). Editorial: Advances in cheminformatics: drug discovery, computational toxicology and nanomaterials (part I). Combinatorial chemistry & high throughput screening, 18(3), 236-7. https://doi.org/10.2174/138620731803150423131038
Melagraki, Georgia, and Afantitis, Antreas. "Editorial: Advances in cheminformatics: drug discovery, computational toxicology and nanomaterials (part I)." Combinatorial chemistry & high throughput screening vol. 18,3 (2015): 236-7. doi: https://doi.org/10.2174/138620731803150423131038
Melagraki G, Afantitis A. Editorial: Advances in cheminformatics: drug discovery, computational toxicology and nanomaterials (part I). Comb Chem High Throughput Screen. 2015;18(3):236-7. doi: 10.2174/138620731803150423131038. PMID: 25929702.
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App-etite for change.

Journal of computer-aided molecular design

Warr WA.
PMID: 25515639
J Comput Aided Mol Des. 2015 Apr;29(4):297-303. doi: 10.1007/s10822-014-9824-1. Epub 2014 Dec 17.

No abstract available.

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Warr WA. App-etite for change. J Comput Aided Mol Des. 2014;29(4):297-303doi: 10.1007/s10822-014-9824-1.
Warr, W. A. (2015). App-etite for change. Journal of computer-aided molecular design, 29(4), 297-303. https://doi.org/10.1007/s10822-014-9824-1
Warr, Wendy A. "App-etite for change." Journal of computer-aided molecular design vol. 29,4 (2015): 297-303. doi: https://doi.org/10.1007/s10822-014-9824-1
Warr WA. App-etite for change. J Comput Aided Mol Des. 2015 Apr;29(4):297-303. doi: 10.1007/s10822-014-9824-1. Epub 2014 Dec 17. PMID: 25515639.
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OntoGene web services for biomedical text mining.

BMC bioinformatics

Rinaldi F, Clematide S, Marques H, Ellendorff T, Romacker M, Rodriguez-Esteban R.
PMID: 25472638
BMC Bioinformatics. 2014;15:S6. doi: 10.1186/1471-2105-15-S14-S6. Epub 2014 Nov 27.

Text mining services are rapidly becoming a crucial component of various knowledge management pipelines, for example in the process of database curation, or for exploration and enrichment of biomedical data within the pharmaceutical industry. Traditional architectures, based on monolithic...

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Rinaldi F, Clematide S, Marques H, et al. OntoGene web services for biomedical text mining. BMC Bioinformatics. 2014;15:S6doi: 10.1186/1471-2105-15-S14-S6.
Rinaldi, F., Clematide, S., Marques, H., Ellendorff, T., Romacker, M., & Rodriguez-Esteban, R. (2014). OntoGene web services for biomedical text mining. BMC bioinformatics, 15S6. https://doi.org/10.1186/1471-2105-15-S14-S6
Rinaldi, Fabio, et al. "OntoGene web services for biomedical text mining." BMC bioinformatics vol. 15 (2014): S6. doi: https://doi.org/10.1186/1471-2105-15-S14-S6
Rinaldi F, Clematide S, Marques H, Ellendorff T, Romacker M, Rodriguez-Esteban R. OntoGene web services for biomedical text mining. BMC Bioinformatics. 2014;15:S6. doi: 10.1186/1471-2105-15-S14-S6. Epub 2014 Nov 27. PMID: 25472638; PMCID: PMC4255746.
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Drug-symptom networking: Linking drug-likeness screening to drug discovery.

Pharmacological research

Xu X, Zhang C, Li P, Zhang F, Gao K, Chen J, Shang H.
PMID: 26615785
Pharmacol Res. 2016 Jan;103:105-13. doi: 10.1016/j.phrs.2015.11.015. Epub 2015 Nov 23.

Understanding the relationships between drugs and symptoms has broad medical consequences, yet a comprehensive description of the drug-symptom associations is currently lacking. Here, 1441 FDA-approved drugs were collected, and PCA was used to extract 122 descriptors which explained 91%...

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Xu X, Zhang C, Li P, et al. Drug-symptom networking: Linking drug-likeness screening to drug discovery. Pharmacol Res. 2015;103:105-13doi: 10.1016/j.phrs.2015.11.015.
Xu, X., Zhang, C., Li, P., Zhang, F., Gao, K., Chen, J., & Shang, H. (2016). Drug-symptom networking: Linking drug-likeness screening to drug discovery. Pharmacological research, 103105-13. https://doi.org/10.1016/j.phrs.2015.11.015
Xu, Xue, et al. "Drug-symptom networking: Linking drug-likeness screening to drug discovery." Pharmacological research vol. 103 (2016): 105-13. doi: https://doi.org/10.1016/j.phrs.2015.11.015
Xu X, Zhang C, Li P, Zhang F, Gao K, Chen J, Shang H. Drug-symptom networking: Linking drug-likeness screening to drug discovery. Pharmacol Res. 2016 Jan;103:105-13. doi: 10.1016/j.phrs.2015.11.015. Epub 2015 Nov 23. PMID: 26615785.
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UK academic drug discovery.

Nature reviews. Drug discovery

Tralau-Stewart C, Low CM, Marlin N.
PMID: 24378794
Nat Rev Drug Discov. 2014 Jan;13(1):15-6. doi: 10.1038/nrd4200.

No abstract available.

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Tralau-Stewart C, Low CM, Marlin N. UK academic drug discovery. Nat Rev Drug Discov. 2014;13(1):15-6doi: 10.1038/nrd4200.
Tralau-Stewart, C., Low, C. M., & Marlin, N. (2014). UK academic drug discovery. Nature reviews. Drug discovery, 13(1), 15-6. https://doi.org/10.1038/nrd4200
Tralau-Stewart, Cathy, et al. "UK academic drug discovery." Nature reviews. Drug discovery vol. 13,1 (2014): 15-6. doi: https://doi.org/10.1038/nrd4200
Tralau-Stewart C, Low CM, Marlin N. UK academic drug discovery. Nat Rev Drug Discov. 2014 Jan;13(1):15-6. doi: 10.1038/nrd4200. PMID: 24378794.
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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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Translating immune targets into treatments for kidney disease.

Nature reviews. Nephrology

[No authors listed]
PMID: 26983901
Nat Rev Nephrol. 2016 Apr;12(4):193. doi: 10.1038/nrneph.2016.33.

No abstract available.

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Translating immune targets into treatments for kidney disease. Nat Rev Nephrol. 2016;12(4):193doi: 10.1038/nrneph.2016.33.
(2016). Translating immune targets into treatments for kidney disease. Nature reviews. Nephrology, 12(4), 193. https://doi.org/10.1038/nrneph.2016.33
"Translating immune targets into treatments for kidney disease." Nature reviews. Nephrology vol. 12,4 (2016): 193. doi: https://doi.org/10.1038/nrneph.2016.33
Translating immune targets into treatments for kidney disease. Nat Rev Nephrol. 2016 Apr;12(4):193. doi: 10.1038/nrneph.2016.33. PMID: 26983901.
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Discovery of bioactive molecules from CuAAC click-chemistry-based combinatorial libraries.

Drug discovery today

Wang X, Huang B, Liu X, Zhan P.
PMID: 26315392
Drug Discov Today. 2016 Jan;21(1):118-132. doi: 10.1016/j.drudis.2015.08.004. Epub 2015 Aug 24.

The rapid assembly and in situ screening of focused combinatorial fragment libraries using CuAAC click chemistry is a highly robust and efficient strategy for establishing SAR and for discovering bioactive molecules. This review outlines the current status of this...

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Wang X, Huang B, Liu X, et al. Discovery of bioactive molecules from CuAAC click-chemistry-based combinatorial libraries. Drug Discov Today. 2015;21(1):118-132doi: 10.1016/j.drudis.2015.08.004.
Wang, X., Huang, B., Liu, X., & Zhan, P. (2016). Discovery of bioactive molecules from CuAAC click-chemistry-based combinatorial libraries. Drug discovery today, 21(1), 118-132. https://doi.org/10.1016/j.drudis.2015.08.004
Wang, Xueshun, et al. "Discovery of bioactive molecules from CuAAC click-chemistry-based combinatorial libraries." Drug discovery today vol. 21,1 (2016): 118-132. doi: https://doi.org/10.1016/j.drudis.2015.08.004
Wang X, Huang B, Liu X, Zhan P. Discovery of bioactive molecules from CuAAC click-chemistry-based combinatorial libraries. Drug Discov Today. 2016 Jan;21(1):118-132. doi: 10.1016/j.drudis.2015.08.004. Epub 2015 Aug 24. PMID: 26315392.
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Mission control: Drug developers test the 'benefit corporation' business model.

Nature medicine

Frood A.
PMID: 28985208
Nat Med. 2017 Oct 06;23(10):1117-1118. doi: 10.1038/nm1017-1117.

No abstract available.

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Frood A. Mission control: Drug developers test the 'benefit corporation' business model. Nat Med. 2017;23(10):1117-1118doi: 10.1038/nm1017-1117.
Frood, A. (2017). Mission control: Drug developers test the 'benefit corporation' business model. Nature medicine, 23(10), 1117-1118. https://doi.org/10.1038/nm1017-1117
Frood, Arran. "Mission control: Drug developers test the 'benefit corporation' business model." Nature medicine vol. 23,10 (2017): 1117-1118. doi: https://doi.org/10.1038/nm1017-1117
Frood A. Mission control: Drug developers test the 'benefit corporation' business model. Nat Med. 2017 Oct 06;23(10):1117-1118. doi: 10.1038/nm1017-1117. PMID: 28985208.
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Identification of Chemical Toxicity Using Ontology Information of Chemicals.

Computational and mathematical methods in medicine

Jiang Z, Xu R, Dong C.
PMID: 26508991
Comput Math Methods Med. 2015;2015:246374. doi: 10.1155/2015/246374. Epub 2015 Oct 05.

With the advance of the combinatorial chemistry, a large number of synthetic compounds have surged. However, we have limited knowledge about them. On the other hand, the speed of designing new drugs is very slow. One of the key...

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Jiang Z, Xu R, Dong C. Identification of Chemical Toxicity Using Ontology Information of Chemicals. Comput Math Methods Med. 2015;2015:246374doi: 10.1155/2015/246374.
Jiang, Z., Xu, R., & Dong, C. (2015). Identification of Chemical Toxicity Using Ontology Information of Chemicals. Computational and mathematical methods in medicine, 2015246374. https://doi.org/10.1155/2015/246374
Jiang, Zhanpeng, et al. "Identification of Chemical Toxicity Using Ontology Information of Chemicals." Computational and mathematical methods in medicine vol. 2015 (2015): 246374. doi: https://doi.org/10.1155/2015/246374
Jiang Z, Xu R, Dong C. Identification of Chemical Toxicity Using Ontology Information of Chemicals. Comput Math Methods Med. 2015;2015:246374. doi: 10.1155/2015/246374. Epub 2015 Oct 05. PMID: 26508991; PMCID: PMC4609800.
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Commentary on the MID3 Good Practices Paper.

CPT: pharmacometrics & systems pharmacology

Manolis E, Brogren J, Cole S, Hay JL, Nordmark A, Karlsson KE, Lentz F, Benda N, Wangorsch G, Pons G, Zhao W, Gigante V, Serone F, Standing JF, Dokoumetzidis A, Vakkilainen J, van den Heuvel M, Mangas Sanjuan V, Taminiau J, Kerwash E, Khan D, Musuamba FT, Skottheim Rusten I.
PMID: 28653481
CPT Pharmacometrics Syst Pharmacol. 2017 Jul;6(7):416-417. doi: 10.1002/psp4.12223. Epub 2017 Jul 22.

During the last 10 years the European Medicines Agency (EMA) organized a number of workshops on modeling and simulation, working towards greater integration of modeling and simulation (M&S) in the development and regulatory assessment of medicines. In the 2011...

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Manolis E, Brogren J, Cole S, et al. Commentary on the MID3 Good Practices Paper. CPT Pharmacometrics Syst Pharmacol. 2017;6(7):416-417doi: 10.1002/psp4.12223.
Manolis, E., Brogren, J., Cole, S., Hay, J. L., Nordmark, A., Karlsson, K. E., Lentz, F., Benda, N., Wangorsch, G., Pons, G., Zhao, W., Gigante, V., Serone, F., Standing, J. F., Dokoumetzidis, A., Vakkilainen, J., van den Heuvel, M., Mangas Sanjuan, V., Taminiau, J., Kerwash, E., Khan, D., Musuamba, F. T., Skottheim Rusten, I. (2017). Commentary on the MID3 Good Practices Paper. CPT: pharmacometrics & systems pharmacology, 6(7), 416-417. https://doi.org/10.1002/psp4.12223
Manolis, Efthymios, et al. "Commentary on the MID3 Good Practices Paper." CPT: pharmacometrics & systems pharmacology vol. 6,7 (2017): 416-417. doi: https://doi.org/10.1002/psp4.12223
Manolis E, Brogren J, Cole S, Hay JL, Nordmark A, Karlsson KE, Lentz F, Benda N, Wangorsch G, Pons G, Zhao W, Gigante V, Serone F, Standing JF, Dokoumetzidis A, Vakkilainen J, van den Heuvel M, Mangas Sanjuan V, Taminiau J, Kerwash E, Khan D, Musuamba FT, Skottheim Rusten I. Commentary on the MID3 Good Practices Paper. CPT Pharmacometrics Syst Pharmacol. 2017 Jul;6(7):416-417. doi: 10.1002/psp4.12223. Epub 2017 Jul 22. PMID: 28653481; PMCID: PMC5529732.
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Showing 13 to 24 of 705 entries