Talk Abstract

February 27-28, 2006
SMi Drug Design V

Application of interactive evolutionary computing (IEC) for candidate design

James H Wikel, Coalesix Inc., Cambridge, MA

• Strengthening the bond between computational chemistry (methods, algorithms, software)
  and medicinal chemistry (insight/intuition/experience)

• What is IEC and why use it for drug candidate design

• Applying effective knowledge management from multidimensional data

• How do we incorporate the scientist’s intuition and expertise during in silico optimisations?

• How do we provide an environment for multicriteria optimisation?