calculation of logP

  >   I am looking for softwares for calculating physical and chemical
  >   properties of small molecules, including logP, logD, pKa, solubility,
  >   and etc.
 Oxford Molecular Group sells the VlogP module along with the TOPKAT
 interface for assessing logP values.  The model has a coefficient of
 determination, R^2, of 0.986 and a standard error of estimate of
 0.20.  When applied to the training set of 6675 chemicals, the largest
 deviation between experimental and computed logP values was 0.42.  No
 correction factors are used.  The program uses patented Optimum Prediction
 Space technology to validate whether or not the model is applicable to the
 compound and validate the quality of the assessment.
 For more information, see:
 V. K. Gombar and K. Enslein, "Assessment of n-Octanol/Water Partition
 Coefficient: When is the Assessment Reliable?" J. Chem. Inf. Comput. Sci.
 36, 1127-1134 (1996).
 Doug Smith
 Dr. Douglas A. Smith, Ph.D.                                     tel
 503-533-5000
 Business Development Manager, Toxicology Products and Services  fax
 503-533-5099
 Oxford Molecular Group,                                         email
 dsmith-0at0-oxmol.com
 14940 Northwest Greenbrier Pkwy.                                www.oxmol.com
 Beaverton, OR 97006-5733