QSAR studies on piperazinylalkylisoxazole analogues selectively acting on dopamine d3 receptor by HQSAR and CoMFA Original Research Article

QSAR studies for piperazinylalkylisoxazole analogues were conducted by hologram QSAR (HQSAR) and comparative molecular field analysis (CoMFA) to explain the binding affinities of 264 ligands acting on dopamine D3 receptor. The HQSAR was assessed by r2 value of 0.917 and cross validated q2 value of 0.841. In the CoMFA, r2 is 0.919 and cross validated q2 is 0.727. The results provide the tools for predicting the affinity of related compounds and guiding the design of new ligands.