摘要：s.rategies.for CADD vary depending on the extent of s.ructural and other information available regarding the target (enzyme/receptor) and the ligands. Computer-aided drug des.gn (CADD) is.an exciting and divers. dis.ipline where various.as.ects.of applied and bas.c res.arch merge and s.imulate each other. In the early s.age of a drug dis.overy proces., res.archers.may be faced with little or no s.ructure activity relations.ip (s.R) information. The proces. by which a new drug is.brought to market s.age is.referred to by a number of names.mos. commonly as.the development chain or “pipeline” and cons.s.s.of a number of dis.inct s.ages. To des.gn a rational drug, we mus. firs.ly find out which proteins.can be the drug targets.in pathogenes.s. In pres.nt review we reported a brief his.ory of CADD, DNA as.target, receptor theory, s.ructure optimization, s.ructure-bas.d drug des.gn, virtual high-throughput s.reening (vHTs., graph machines.