Error and Warning Messages

1. The message: Warning: Adjacent "Fragments" involving Atoms... FPP(0) used to estimate Log P appears when partitioning. This message is simply a warning from the Partition algorithm that your molecule has a functional group or Leo-type fragment that is not in the database. HINT continues the calculation by constructing a new fragment from two (or more) fragments that are present in the database with the application of a polar proximity factor of range zero, FPP(0). FPP(0) represents the polar proximity effect of two groups that have no "insulating carbons" between them. Of course this means that the estimation of LogP that HINT produces is not as valid as one obtained with all of the necessary fragments present in the database, but it is a pragmatic solution to missing data.