A review of different pharmacophore techniques including ligand-based, structured-based, and fingerprints and some of the main issues with each one. Some of the issues discussed are conformational sampling, feature detection, and protein flexibility. Also, many successful applications of pharmacophores for finding new hits are discussed.
Horvath, Dragos. “Chemoinformatics and Computational Chemical Biology.” Methods in Molecular Biology 672 (2010): 261–98.
A review of different pharmacophore techniques including ligand-based, structured-based, and fingerprints and some of the main issues with each one. Some of the issues discussed are conformational sampling, feature detection, and protein flexibility. Also, many successful applications of pharmacophores for finding new hits are discussed.