Title:

The impact of in-silico methods on lead discovery

Author:

Pat Walters
Vertex

Abstract:

Computational techniques have become an integral part of the lead
discovery effort in many pharmaceutical companies.   The approaches
employed range from simple counting methods such as the "rule of
five" to complex grid computing systems for virtual screening.
In-silico methods for predicting physical properties and pharmacokinetic
parameters are now being used to select screening compounds and prioritize
lead series.  In addition to being useful for compound selection,
in-silico methods can also provide a means of organizing and rapidly
interpreting screening data.    The presentation will focus on the impact
of in-silico techniques on lead discovery efforts at Vertex
Pharmaceuticals.