Recent advances in drug discovery allowed access to powerful technologies that have a prominent virtual screening component. One of the chief difficulties in using these technologies is their requirement for interdisciplinary expertise in physical sciences, life sciences, statistical analyses and computer science. Therefore, the purpose of Virtual Screening is to help facilitate the employment of these new technologies in the process of drug discovery. This volume describes a group of virtual screening methods and techniques that are used currently in modern drug discovery. The first section describes mixing pharmacophore modeling with classical quantitative structure-activity relationship (QSAR) analysis as powerful combination to enrich bioactivity among virtual screening hits. The next part of the book tries to evaluate recent advances and future trends on the emerging promising role of graphics processing units (GPUs) as platforms for virtual screening-based drug discovery, in particular in molecular dynamics simulations. The latter parts of the book discuss several examples on the use of virtual screening methods based on combinations of pharmacophore modeling and Comparative Molecular Field Analysis (CoMFA) or Comparative Molecular Similarity Indices Analysis (CoMSIA) for the discovery of anticancer, anti-leshmanial and acetylcholineesterase inhibitory agents. In each chapter, every effort has been made to incorporate detailed procedures, including software and its use, related to these technologies.