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Working smarter with predictive science
Optimising a molecular lead series is a critical step in transitioning initial hit compounds from screening into potent, selective and bioavailable agents suitable for progression to preclinical development and eventual consideration as candidate drugs. Advanced modelling and simulation solutions for both small molecule and macromolecule-based drug design can help to investigate and test hypotheses <i>in silico</i> prior to costly experimentation, thus reducing the time and expense involved in bringing new drugs to market