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validation, omitting one compound at a time from the set according
to the leave-one-out technique.69
Acknowledgment. This work was supported by Italian
MiUR (Ministero dell’Universita` e della Ricerca) (Grant No.
2005032713_002), Universities of Parma and Urbino “Carlo
Bo”, and the National Institute of Drug Abuse (to D.P.). The
S.I.T.I. (Settore Innovazione Tecnologie Informatiche) and
C.I.M. (Centro Interdipartimentale Misure) of the University
of Parma are gratefully acknowledged for supplying the Sybyl
software license.
Supporting Information Available: Tables of calculated log P
values, SGB-LIE components, and elemental analytical data. This
material is available free of charge via the Internet at http://
pubs.acs.org.
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