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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) |