Title: Alignment‐independent Descriptors from Molecular Interaction Fields
Abstract: This chapter contains sections titled: Introduction The Need for MIF-derived Alignment-independent Descriptors GRIND Applications GRIND The Basic Idea Computation of MIF Extraction of Highly Relevant Regions MACC2 Encoding The Analysis of GRIND Variables How to Interpret a GRIND-based 3D QSAR Model Overview Interpreting Correlograms Interpreting Single Variables GRIND-based 3D QSAR Models are not Pharmacophores GRIND Limitations and Problems GRIND and the Ligand Conformations The Ambiguities Chirality Recent and Future Developments Latest Developments Shape Description Anchor GRIND The Future Conclusions
Publication Year: 2005
Publication Date: 2005-10-26
Language: en
Type: other
Indexed In: ['crossref']
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Cited By Count: 11
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