This chapter is a review of the most recent developments in the field of pharmacophore
modeling, covering both methodology and application. Pharmacophore-based virtual …

Computer-aided drug discovery techniques reduce the time and the costs needed to
develop novel drugs. Their relevance becomes more and more evident with the needs due …

Pharmacophores describe the spatial arrangement of essential interactions in a receptor‐
ligand complex. Although highly established in ligand‐based virtual screening, the …

Pharmacophore‐based techniques are nowadays an important part of many computer‐
aided drug design workflows and have been successfully applied for tasks such as virtual …

The pharmacophore concept is of central importance in computer-aided drug design
(CADD) mainly because of its successful application in medicinal chemistry and, in …

Background: The pharmacophore concept in modern drug research is of great importance
and promotes the development of drug industry as indicated by the number of publications …

Parallel screening comprises a novel in silico method to predict the potential biological
activities of a compound by screening it with a multitude of pharmacophore models. Our aim …

We have performed virtual screening using some very simple features, by employing the
number of atoms per element as molecular descriptors but without regard to any structural …

This chapter reviews theory related to pharmacophore models and guide the user through
six essential workflows using LigandScout: structure‐based pharmacophore modeling …

Pharmacophore-based techniques currently are an integral part of many computer-aided
drug design workflows and have been successfully and extensively applied for tasks such …