This is the additional material for the paper:


Reliability of CoMFA Models: Effects of Data Scaling and Variable Selection Using a Set of Human Synovial Fluid Phospholipase A2 Inhibitors

Ortiz,A.R., Pastor,M., Palomer,A., Cruciani,G., Gago,F. and R.C.Wade, J.Med.Chem. (1997) 40, 1136-1148, 4168.

European Molecular Biology Laboratory, Heidelberg, Germany



Supplementary Material for the Paper:

Postscript files:

  • Tables
  • Figure 1
  • Figure 2
  • Figure 3
  • Figure 4
  • Figure 5

  • Pdf file of all tables and figures


    Set of aligned inhibitors used for this study:

  • Formulas and activities (postscript file)
  • Coordinates (PDB format)
  • Parameters (grinkout files from the GRID program for each compound - tarred and compressed)


    Rebecca Wade

    September 1997


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