Tag: Chemoinformatics

  cheminf 

Also known as cheminformatics.

Blog posts

• Artificial intelligence for natural product drug discovery (24 Sep 2023)
  
• 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)