Web 0.0/1.0/2.0/3.0 and Chemical Information

submitted by: jcbradley

Elizabeth Brown from the Binghamton University Libraries presents on "Web 0.0/1.0/2.0/3.0 and Chemical Information" on October 21, 2010 as a guest lecturer for Jean-Claude Bradley's class on Chemical Information Retrieval at Drexel University. An analogy to art is made to illustrate the differences between these communication platforms.

ChemInfo 2010 Class2

submitted by: jcbradley

Jean-Claude Bradley delivers the lecture for the second class of Chemical Information Retrieval 2010 at Drexel University on September 30, 2010. This is mainly an overview of using Beilstein Crossfire, SciFinder and ChemSpider to find chemical properties.

Bradley Research at Drexel Chemistry MiniSymposium 2010

submitted by: jcbradley

Jean-Claude Bradley presents a condensed version of ongoing work in his laboratory at Drexel University. Topics covered include Open Notebook Science for malaria drug discovery, the Ugi reaction and the ONS Challenge, a crowdsourcing initiative to collect non-aqueous solubility measurements. Some recent work on using web services to leverage these datasets is also discussed.

Molecular Representation, Similarity and Search

submitted by: jcbradley
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....

Citizen Scientists and Their Contributions to Internet Based Chemistry

submitted by: AntonyWilliams
This presentation was a presentation to a group of chemistry students at Drexel University. The premise of this presentation was an overview of the ChemSpider search engine and database but during the process of teaching about ChemSpider an overview of various aspects of internet based chemistry were given. This included: the quality of chemistry-related data online, an overview of InChIs as a basis for searching the internet by chemical structure and semantic markup of chemistry articles.

Cheminfo Retrieval Class 9th FA09

submitted by: jcbradley

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

Cheminfo Retrieval Class 8th FA09

submitted by: jcbradley
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...

Cheminfo Retrieval Class Six FA09

submitted by: jcbradley
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...

Cheminfo Retrieval Fifth Class FA09

submitted by: jcbradley
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...

Cheminfo Retrieval Fourth Class FA09

submitted by: jcbradley
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...