Posts Tagged ‘Library Design’
Field-Focused Library Design
01 December 2010
Article published in Drug Discovery and Development: When designing libraries against specific targets, a wide range of activities—therapeutic, off-target, and toxicity—must be predicted. Experience has shown that a compound’s biological activity cannot be predicted solely by its 2D structure and we need to use a more detailed description of the molecule. At its most basic [...]
FieldAlign v 3.0
01 December 2010
Enabling Rapid Design and SAR Interpretation The latest release of FieldAlign brings new functionality that will increase your SAR knowledge and help you design the best next synthesis. FieldAlign has always given you biologically relevant molecular comparisons that can be used to find the root causes of activity or inactivity. FieldAlign v3.0 makes this easier [...]
Library Design – Novel H3 Anatagonists
13 July 2010
There is a delicate balance to be struck in library design between identifying all the chemical scaffolds that are potentially active, whilst retaining a manageable library of compounds that is tractable and cost-effective for routine screening. Field templates can be used in library design to predict activity of compounds both at therapeutic targets as well [...]
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