摘要：Strategies for CADD vary depending on the extent of structural and other inform.tion available regarding the target (enzym./receptor) and the ligands. Com.uter-aided drug design (CADD) is an exciting and diverse discipline where various aspects of applied and basic research m.rge and stim.late each other. In the early stage of a drug discovery process, researchers m.y be faced with little or no structure activity relationship (SAR) inform.tion. The process by which a new drug is brought to m.rket stage is referred to by a num.er of nam.s m.st com.only as the developm.nt chain or “pipeline” and consists of a num.er of distinct stages. To design a rational drug, we m.st firstly find out which proteins can be the drug targets in pathogenesis. In present review we reported a brief history of CADD, DNA as target, receptor theory, structure optim.zation, structure-based drug design, virtual high-throughput screening (vHTS), graph m.chines.