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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section10


608. CHEMICALC-2: Combined Handling of Estimation Methods Intended for Completely Automated Log p Calculations

by Takahiro Suzuki, Department of Chemical Engineering, Tokyo Institute of Technology, O-okayama, Meguro-ku, Tokyo 152, Japan This system is limited to working with molecules which contain C, H, N, O, S only. By working with a group additivity method it can calculate the following: 1. The octanol-water partition coefficient 2. The aqueous solubility 3. Log p for other solvent/water combinations. NOTE:This system is being delivered in VAX COPY (ANSI D) format only.

Lines of Code: 6770 FORTRAN 77 (VAX)


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