An article that covers a procedure for generating ligand-based pharmacophores. First, ligands are aligned in pairs and are scored. Then, multiple ligands are aligned, and their scores are computed. Finally, pharmacophoric features are chosen through a procedure in which weights are assigned to each one based on the frequency of appearance, these are called weighted pharmacophores.
Before virtual screening, the best pharmacophores are chosen by clustering the ones with similar pattern of features. The pharmacophores mentioned in the article were generated by a free software named PharmaGist.
Dror, Oranit, Dina Schneidman-Duhovny, Yuval Inbar, Ruth Nussinov, and Haim J Wolfson. “Novel Approach for Efficient Pharmacophore-Based Virtual Screening: Method and Applications.” Journal of Chemical Information and Modeling 49, no. 10 (2009): 2333–43.
An article that covers a procedure for generating ligand-based pharmacophores. First, ligands are aligned in pairs and are scored. Then, multiple ligands are aligned, and their scores are computed. Finally, pharmacophoric features are chosen through a procedure in which weights are assigned to each one based on the frequency of appearance, these are called weighted pharmacophores.
Before virtual screening, the best pharmacophores are chosen by clustering the ones with similar pattern of features. The pharmacophores mentioned in the article were generated by a free software named PharmaGist.