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Compound library design
Compound library design enables rational selection of compounds for the purpose of synthesis and biological evaluation. An array of computational methods including similarity/diversity assessment, QSAR modeling, pharmacophore modeling, scaffold hopping, ADME/Tox modeling and virtual screening, is utilised to design focused, diverse as well as target family-oriented libraries for a particular drug design project. With the view of maximising the possibility of intellectual property generation, exhaustive patent search of designed library is also undertaken.