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| Registros recuperados: 11 | |
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| Jean-Claude Bradley; Philip Rosenthal; Rajarshi Guha; Khalid Mirza; Jiri Gut. |
| This talk was presented by Jean-Claude Bradley at the American Chemical Society meeting in Philadelphia on August 20, 2008. An introduction to Open Notebook Science is presented followed by an illustration of how ONS can be used in drug discovery. New data relating to the anti-malarial activity of Ugi products on 2 falcipain-2 docking sites is detailed. The docking calculations were provided by Rajarshi Guha and the enzyme and in vitro assays on Plasmodium falciparum were provided by Phil Rosenthal and Jiri Gut. Most of the syntheses were carried out by Khalid Mirza in the Bradley group.

Screencast available at:... |
| Tipo: Presentation |
Palavras-chave: Chemistry; Bioinformatics. |
| Ano: 2008 |
URL: http://precedings.nature.com/documents/2216/version/1 |
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| Jean-Claude Bradley. |
| The first half is a summary of how the Bradley group at Drexel University is doing Open Notebook Science with the UsefulChem project to synthesize and test novel anti-malarial compounds. Graduate student Dave Strumfels' code to compute kinetics from JCAMP NMR reaction profiles is then highlighted. Finally screenshots are shown of a building on Nature Island in Second Life where Beth Ritter-Guth and Eloise Pasteur have helped to set up a poster room with NMR spectra, molecules and an organic chemistry quiz that can be activated by clicking on an obelisk. 
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| Tipo: Presentation |
Palavras-chave: Chemistry. |
| Ano: 2007 |
URL: http://precedings.nature.com/documents/39/version/1 |
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| Jean-Claude Bradley; Kevin Owens; Antony Williams. |
| This is a pre-proposal written for the NSF program CDI (Cyber-Enabled Discovery and Innovation) in Jan 2008.

The current system of dissemination of scientific data and knowledge is far less efficient than it needs to be to facilitate improved collaborative science, especially considering current publication vehicles and infrastructure. There is a growing movement promoting more Open Science with the belief that a more transparent scientific process can perform far more effectively. The logical extension of this concept is full transparency - exposing a researcher's complete record of progress to the public in near real time. Not only will such a process enable ongoing data sharing it also provides an... |
| Tipo: Manuscript |
Palavras-chave: Cancer; Chemistry; Bioinformatics. |
| Ano: 2008 |
URL: http://precedings.nature.com/documents/1505/version/1 |
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| Jean-Claude Bradley; Khalid Mirza; Kevin Owens; Tom Osborne; Antony Williams. |
| The Ugi reaction has proved to be a convenient way to quickly create diverse libraries of compounds. It involves the reaction of an amine, an aldehyde, a carboxylic acid and an isonitrile typically in methanol at room temperature. The Ugi reaction has often been used as a tool in the synthesis of pharmacologically active molecules. It has been observed that Ugi products sometimes precipitate in pure form from the reaction mixture. This is a very fortunate outcome since the reaction can then be easily scaled up without requiring costly purification procedures such as chromatography. It would be most beneficial to optimize the Ugi product yield as obtained directly from filtering the reaction mixture without further treatment. To this end we utilized a... |
| Tipo: Manuscript |
Palavras-chave: Chemistry; Pharmacology. |
| Ano: 2008 |
URL: http://precedings.nature.com/documents/2237/version/1 |
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| Jean-Claude Bradley; Andrew S. I. D. Lang; Antony J. Williams; Evan Curtin. |
| This book represents a PDF version of Dataset ONSMP029 (2706 unique compounds, 7413 measurements) from a project to collect and curate melting points made available as Open Data. This particular collection was selected from the application of a threshold to favor the likelihood of reliability. Specifically, the entire range of averaged values for a data point was set to 0.01 C to 5 C, with at least two different measurements within this range. Measurements were pooled and processed from the following sources: Alfa Aesar, MDPI, Bergstrom, PhysProp, DrugBank, Bell, Oxford MSDS, Hughes, Griffiths and the Chemical Information Validation Spreadsheet. Links to all the information sources and web services are available from the Open Melting Point Resource page:... |
| Tipo: Manuscript |
Palavras-chave: Chemistry. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6229/version/1 |
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| Registros recuperados: 11 | |
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