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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section11
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QCMP093. STERIMOL: Verloop Parameters for QSAR
by W. Hoogenstraaten, Phillips Research
Laboratories, Eindhoven, The Netherlands
Converted by Stephen B. Bowlus, SANDOZ Crop
Protection, Palo Alto, California 94304
This program is used for calculating the
Verloop STERIMOL parameters which are needed
in QSAR (Quantitative Structure-Activity
Relationship) work.While the original
program was in BASIC and was ultimately
converted for VAX usage, this program is
derived from the VAX version.
It is well known that in medicinal chemistry
and certain related fields the steric
requirements of interactions between drug
molecules and biomolecules are often of great
importance for drug-receptor interactions as
well as in connection with drug metabolism.
Therefore, a need has emerged to develop
stereospecific parameters which can be used
in QSAR studies. This program generates such
parameters which have proven very useful.
Lines of Code: 878
FORTRAN (Microsoft v. 3.1 or later)
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