skip to main | skip to sidebar

comments on Andrew Dalke's writings

Friday, June 27, 2008

molecular fingerprints

I wrote a set of essays on molecular fingerprints:


  1. Molecular fingerprints, background

  2. Generating molecular fingerprints with OpenBabel

  3. Computing Tanimoto scores, quickly

  4. Block Tanimoto calculations

  5. Faster block Tanimoto calculations

  6. HAKMEM 169 and other popcount implementations

  7. Testing the bitslice algorithm for popcount




Feel free to leave comments about them here.
Posted by Andrew Dalke at 1:13 PM 18 comments:
Newer Posts Older Posts Home
Subscribe to: Posts (Atom)

Blog Archive

  • ►  2016 (1)
    • ►  August (1)
  • ►  2014 (2)
    • ►  July (1)
    • ►  June (1)
  • ►  2013 (1)
    • ►  July (1)
  • ►  2012 (3)
    • ►  May (3)
  • ►  2011 (6)
    • ►  November (1)
    • ►  July (2)
    • ►  June (1)
    • ►  January (2)
  • ►  2010 (7)
    • ►  December (1)
    • ►  November (1)
    • ►  March (1)
    • ►  February (1)
    • ►  January (3)
  • ►  2009 (2)
    • ►  December (1)
    • ►  November (1)
  • ▼  2008 (4)
    • ►  November (1)
    • ►  August (1)
    • ▼  June (1)
      • molecular fingerprints
    • ►  March (1)
  • ►  2007 (3)
    • ►  November (1)
    • ►  October (2)

About Me

My photo
Andrew Dalke
I am an American living in Göteborg, Sweden. I make my living writing software for computational chemistry and biology, usually in Python.
View my complete profile