cheminformatics

Welcome to the 'cheminformatics' tag page at Technorati. This page features content from the farthest reaches of the Blogosphere that authors have "tagged" with 'cheminformatics'.

Latest blogosphere posts tagged “cheminformatics”

• Glatiramer Acetate Cheminformatics Problem and Fifth ChemInfo Retrieval Class

  
  Useful Chemistry — Authority: 479
  It started out innocently enough. One of my students picked the multiple sclerosis drug glatiramer acetate for his project in my Chemical Information Retrieval class. This ultimately resulted in the removal of this substance from ChemSpider . The problem is that this drug is a polymer but it is represented in ...
  4 days ago

• New Bioclipse Features: Kabsch Alignment, RMSD Distance and Tanimoto Simarlity Matrices

  
  chem-bla-ics — Authority: 115
  We recently submitted a second paper on Bioclipse , and have worked hard in the past two weeks on addressing the reviewers questions (and we love these feature requests! See also these two blogs ). One reviewer seemed very interested in seeing docking available in Bioclipse. While we do not have a full docking ...
  4 days ago

• Fourth Cheminfo Retrieval class: ChemSpider and Beilstein Databases

  
  Useful Chemistry — Authority: 479
  Peggy Dominy , our chemistry librarian at Drexel, was kind enough to teach my third class while I was at NERM . She demonstrated RefWorks - including how to copy and paste the proper formats to Wikispaces - and how to use our ILL (Inter-Library Loan) process. Im including a recording of the fourth class on ...
  2 weeks ago

• NMRShiftDB RDF #3: Bio2RDF

  
  chem-bla-ics — Authority: 115
  My might have seen my efforts to convert the NMRShiftDB data into RDF: NMRShiftDB RDF #2: Some statistics NMRShiftDB RDF #1: Spectra by InChI   NMRShiftDB enters rdf.openmolecules.net #2: SPARQL end point with Virtuoso Peter Ansell has shortly after that copied the data into Bio2RDF , but I had not ...
  4 weeks ago

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