In the present work special computer aided models have been designed for liposome formulation which is extensively used for controlled and sustained drug delivery Here using the modern computer techniques and drug design studies using the remote loading technique for development of liposomes has been carried out. Three formulations were chosen for testing which were characterized with Iterative Stochastic Elimination (ISE) and k-Nearest Neighbours (kNN) approaches. Likewise, in these three drugs like Piroxicam, Etodolac and Lvastatin are studied. The statin used can improve the tumor growth by increasing local drug concentration by inhibiting tumor activity. Here novel procedure is described to load molecules into liposomes.