Artificial Chemical Neural Network for Drug Discovery Applications

The drug design aims to generate chemical species that meet specific criteria, in-cluding efficacy against a pharmacological target, good safety profile, appropriate chemical and biological properties, sufficient novelty to ensure intellectual proper-ty rights for commercial success, etc. Using new algorithms to design and evalu-ate molecules in silicon de novo drug design is increasingly seen as an effective means of reducing the size of the chemical space to something more manageable for identifying chemogenomic research tool compounds and for use as starting points for hit-to-lead optimization.