chemical

Jean-Claude Bradley presents on "Peer Review and Science2.0: blogs, wikis and social networking sites" as a guest lecturer for the “Peer Review Culture in Scholarly Publication and Grantmaking” course at Drexel University. The main thrust of the presentation is that peer review alone is not capable of coping with the increasing flood of scientific information being generated and shared. Arguments are made to show that providing sufficient proof for scientific findings does scale and...

Jean-Claude Bradley presents "Open Notebook Science and other Science2.0 Approaches to Communicate Research" at the University of Pennsylvania Library on January 21, 2010. The introduction covers recent examples of where the sharing of laboratory notebook information in chemistry on the blogosphere has been key to resolving ambiguous results in the traditional literature. Other examples illustrate the inability to assess contradictory data in the literature simply because insufficient...

Rajarshi Guha presents at the final fall 09 Chemical Information Retrieval class at Drexel University on December 3, 2009. The audio for the first 45 seconds is a little off but the rest is fine. Implicit and explicit molecular representations in 1D, 2D and 3D formats are introduced. Approaches to quantifying molecular similarity using fingerprinting are discussed, such as the Tanimoto index. The relevance of these methods to drug design in terms of virtual screening and QSAR is explored....

A final overview of student assignments for the class, mainly about finding and reporting on sources of molecular properties.

This is the lecture from the 8th Chemical Information Retrieval class at Drexel University on November 12, 2009. It starts with a demonstration of how to use of ChemSketch and Chemspider to display and manipulate chemical structures, especially those with complicated stereochemistry. Technical issues with using SMILES between the two platforms are addressed, as are optimization of 3D structures and inverting chiral centers. Microsoft Paint is used to process screen captures to images that...

This is the lecture from the sixth Chemical Information Retrieval class at Drexel University on October 29, 2009. It starts with a review of some of the new questions answered by students from the chemistry publishing FAQ, which covers patent information and accessing electronic journals at Drexel. Tony Williams submitted a puzzle to resolve conflicting structures in ChemSpider, which is too difficult to be a regular assignment. It requires re-analyzing spectroscopic data in papers where...

The fifth Chemical Information Retrieval class at Drexel University on October 22, 2009 started out with covering the new 3D structure viewer introduced recently at PLoS ONE to provide ideas for students doing a multimedia project this term. The current student answers to the chemistry publishing FAQ are then discussed. The reason for removing glatiramer acetate from ChemSpider is explained and a few databases (Wikipedia, PubChem, DrugBank) are visited that still contain the incorrect SMILES,...

Following the release of a National Academies report on the future of biological science, three of the study’s authors discuss its key findings. A New Biology for the 21st Century identifies how biology can help meet challenges like feeding a growing population, providing adequate health care, generating energy to meet increasing demands, and coping with global climate change. In this video, Dr Phillip Sharp, Dr. Anthony Janetos, and Dr. Keith Yamamoto explain the study’s goals and...

This is a recording of the fourth class on Chemical Information Retrieval on Oct 15, 2009 at Drexel University. It starts with some tips on removing formatting from Wikispaces pages, the Drexel Cisco VPN client for accessing paid subscriptions off campus and how to link to a DOI. The first two assignments for the class are then described. The first involves summarizing each paragraph of an article and an option to use AcaWiki is demonstrated. The second involves filling in an FAQ for...

Jean-Claude Bradley introduces Chemical Information Retrieval (CHEM 367 and CHEM 767) at Drexel University with an overview of topics to be covered. See class wiki at http://getcheminfo.wikispaces.com for details.