… Virtual screening, seen as an integrative approach to … the outcome result in a launched
drug. The increased difficulty of … from the drug candidate to the lead optimization and even lead …

… of many drug discovery programmes, from hit identification to lead optimization and beyond
… or structure-based virtual screening 7 techniques are widely used in many discovery efforts. …

… In this review we will discuss the different methods of virtual screening ranging from
pharmacophore model matching algorithms to structure based docking techniques. Several …

… Hit identification and lead optimization are very much … virtual screening (VS) has been a
staple for more than a decade now in drug discovery with its underlying computational technique…

… -based virtual screening methods for prioritizing compounds in lead-discovery programs, …
effectiveness of the methods being judged by the extent to which active test set molecules were …

… and is a common method for evaluation of HTD programs. This report showed that the hit
rates obtained for the programs evaluated in simulated virtual screening and after EF …

… This computational method is valuable for discovering lead compounds in … methods such
as high-throughput screening (1–4). The protocol in this chapter will separate virtual screening …

… of hits by computational methods such as virtual screening (VS) can represent a crucial step
in early-stage drug discovery. The first time the term “virtual screening” appeared in a peer-…

… For docking studies, structure-based approaches in drug design and reverse virtual
screening studies, there are biotarget libraries or databases, which contain experimentally de…

… The vast amount of drug-like chemical libraries can be explored using in silico virtual screening
(VS) techniques, which encompass a variety of computational algorithms and formalisms …