Tag: Chemoinformatics

  cheminf 

Also known as cheminformatics.

Blog posts

• Artificial intelligence for natural product drug discovery (24 Sep 2023)
  
• What metabolites are found in which species? Nanopublications from Wikidata (30 Mar 2019)
  
• New Paper: "The ChEMBL database as linked open data" (09 May 2013)
  
• ChEMBL 13 as RDF (04 Mar 2012)
  
• Weka Decision Trees to Java Conversion (30 May 2007)
  
• Ex-CUBIC get-together (27 Apr 2007)
  
• CDK 1.0: a milestone after 7 year of development (23 Apr 2007)
  
• Clustering web search results (21 Apr 2007)
  
• OSMB2007 Day #1: venture capital, scientific blogger and Kepler (24 Jan 2007)
  
• Open Source Meets Business 2007 (22 Jan 2007)
  
• Modern chemistry in the CDK: beyond the two-atom bond (30 Dec 2006)
  
• Counting constitutional isomers from the molecular formula (17 Dec 2006)
  
• Molecular Chemometrics (12 Dec 2006)
  
• H-index in chemoinformatics (09 Dec 2006)
  
• German Conference on Chemoinformatics 2006: Day 3 (14 Nov 2006)
  
• German Conference on Chemoinformatics 2006: Day 1 and 2 (13 Nov 2006)
  
• When is open source chemoinformatics successful? (07 Nov 2006)
  
• Opensource Chemistry and Opensource Chemoinformatics (28 Oct 2006)
  
• Are chemogenomics and proteochemometrics the same? (11 Oct 2006)
  
• A chemistry extension for spreadsheet(s) (12 Jun 2006)
  
• Recent Developments of the Chemistry Development Kit (05 Jun 2006)
  
• Blue Obelisk in Obernai at Chemoinformatics in Europe (28 May 2006)
  
• Molecular indexing on the KDE and OS/X desktops (26 May 2006)
  
• Four graph mining methods integrated in ParMol (03 May 2006)
  
• Postgenomic.com maps upcoming conferences (14 Apr 2006)
  
• The CDK data classes and change notifications (12 Apr 2006)
  
• Novel QSAR and QSPR descriptors? (24 Feb 2006)
  
• Tagging blog items (06 Feb 2006)
  
• 1D NMR Spectra do not work in QSPR (27 Jan 2006)
  
• The good, the bad and the ugly molecules (28 Dec 2005)
  
• Subset selection: mind the complexity (23 Dec 2005)
  
• CDK Debug classes and fixing the ModelBuilder3D bug (16 Dec 2005)
  
• The goal: a live chemblaics CD (18 Nov 2005)
  
• Back from the 1st GCC (17 Nov 2005)
  
• Going to the German Chemoinformatics Conference (11 Nov 2005)
  
• When to stop including QSAR model variables... (08 Nov 2005)
  
• Open Source data mining in chemoinformatics (02 Nov 2005)
  
• CDK News (30 Oct 2005)