Alignment‐Free Pharmacophore Patterns – A Correlation‐Vector Approach
Steffen Renner, Uli Fechner, Gisbert Schneider · Methods and principles in medicinal chemistry · 2006
This chapter contains sections titled: Introduction The Correlation-vector Approach The Concept Comparison of Molecular Topology: CATS Comparison of Molecular Conformation: CATS3D Comparison of Molecular Surfaces: SURFCATS Applications Retrospective Screening Studies Scaffold-hopping Potential Prospective Virtual Screening New Methods Influenced by the Correlation-vector Approach “Fuzzy” Pharmacophores: SQUID Feature Point Pharmacophores: FEPOPS Conclusions Acknowledgments Abbreviations References