PCMODELS includes CLOGP and CMR. CLOGP estimates the octanol/water partition coefficient of a compound given its structure as specified by SMILES. CMR calculates molar refractivity for a given structure by an atom-and-bond-based method. PCMODELS is an expert system. Input to PC Models can be by individual SMILES, SMILES files, or by GRINS, a graphical molecular editor. PCMODELS is a unique product that provides accurate prediction of molecular properties.
Yosef Taitz
Chief Executive Officer DAYLIGHT Chemical Information Systems, Inc. 18500 Von Karman Avenue Suite #450 Irvine, CA 92715 USA 714-476-0451 fax:714-476-0654 yosi@daylight.com