Pharmacophore-guided design

Pharmacophore-guided Design of Focused Compound Libraries... 

Taken together, the examples shown above illustrate typically some pre-computer attempts to elucidate pharmacophoric patterns usable as guides for the design of new drugs. They prepared the minds for Garland Marshall s seminal publications (see references in [31, 32]) on computer-aided pharmacophore identification and all the derived applications that will be presented in the following chapters. 

Third, the validation is often adapted to the final objective in the search for a pharmacophore. Whether its is to be used as a query for virtual screening, to predict accurately the activity of a series of molecule or to serve as a guide for drug design, some validation approaches can be emphasized over others. So, if the title of this chapter were to be rephrased, we could have asked Are you sure you have the right model... for the envisaged application ... 

O. Dror, A. Shulman-Peleg, R. Nussi-nov, H. J. Wolfson, Prediding molecular interactions in silico 1. A guide to pharmacophore identification and its applications to drug design, Curr. Med. 

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