Grid independent descriptors

Pastor, M., Cruciani, G., McLay, L, Pickett, S., Glementi, S. GRid-INdependent descriptors (GRIND) a novel class of alignment-independent three-dimensional molecular descriptors. /. Med. Chem. 2000, 43, 3233-3243. 

Pastor M, Cruciani G, McLay I et al. (2000) Grid-independent descriptors (GRIND) A novel class of alignment-independent Three-dimensional molecular descriptors. J Med Chem 43 3233-3243... 

Figure 6.1. Steps involved in the computation of the grid-independent descriptors.

P. Benedetti, R. Mannhold, G. Cruciani, M. Pastor, GBR compounds and mepyr-amines as cocaine abuse therapeutics Chemometric studies on selectivity using grid independent descriptors (GRIND),/. Med. Chem. 2002, 45 (8), 1577-1584. 

E. Eontaine, M. Pastor, E. Sanz, Incorporating molecular shape into the alignment-free GRid-INdependent Descriptors, J. Med. Chem. 2004, 47 (11), 2805-2815. 

Cruciani, G., Pastor, M., Clementi, S., dementi, S. GRIND (GRID independent descriptors) in 3D structure-metabolism relationships, in Rational Approaches to Drug Design, Hoitje, H.D. and SippI, W. (eds.), Prous Science Press, Barcelona, 2001, pp. 251-260. 

Fontaine, F, Pastor, M., Zamora, I., Sanz, F. Anchor-GRIND filling the gap between standard 3D QSAR and the GRid-INdependent descriptors. J. Med. Chem. 2005, 48, 2687-2694. 

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