course

Nucleomistry Lecture 4

submitted by: SpaceCadet262
This lecture introduces Nuclear Shell Theory.

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....

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 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 SMILES,...

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...

Chemical Information Retrieval class 1 FA09

submitted by: jcbradley
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.