Absolv program

Sirius-Analytical—provider of instruments for LogP and pKa. determination, and the Absolv program to predict physicochemical properties (123)... 

From the above QSAR, it can be seen that solute hydrogen bond donor ability increases BCF, as does molecular volume, while solute hydrogen bond acceptor ability decreases BCF The LSER descriptors can now be calculated using the computer program Absolv (www.sirius-analytical.com). 

The computer program Absolv, has, inter alia, a log Kcw prediction module. For the chemicals used by Sabljib et al. (1990), Absolv gave reasonably good predictions. For example, for partitioning into the cuticular membrane of the tomato (Lycopersicon esculentum), for which data for 13 chemicals were available, 8 Absolv predictions were within 0.5 log units of the measured values, 4 were between 0.5 and 1.0 units in error, and 1 was more than 1 log unit in error. The measured and Absolv-predicted values correlated well (R2 = 0.954, s = 0.425, F = 230.2). 

---