Role of the Computational Intelligence in Drugs Discovery and Design: Introduction, Techniques and Software

Abstract

Drugs discovery and design is an intense, lengthy andconsecutive process that starts with the lead andtarget discovery followed by lead optimisation andpre-clinical in vitro and in vivo studies. This paperthrows light on different computational techniques thatplay a vital role in the drugs discovery and designprocess. Earlier, computational techniques are use inthe field of computer science, electrical engineeringand electronics and communication engineering to solvethe problems. But, now days use of these techniques haschanged the scenario in drugs discovery and design fromthe last two decades. This paper present briefdescription of different computational techniques suchas Particle Swarm Optimisation, Ant ColonyOptimisation, Artificial Neural Network, Fuzzy logic,Genetic Algorithm, Genetic Programming, EvolutionaryProgramming, Evolutionary Strategy and also provide atabular comparison of these techniques as well as alist of computational tools/ software.