ABSTRACT

At its most basic level, CAMD is the application of computer-implemented algorithms that are utilized to design a molecule for a particular application. Normally, when one considers the term “molecular design,” a common thought is in the area of therapeutics. Many researchers in industry and academia alike are involved in the design of drugs and, accordingly, extensive effort has been afforded to developing techniques specific to these types of systems [1-4]. However, while not as visible or attractive as marketing the latest pharmaceutical, CAMD is a popular and useful technique in many other areas, such as for polymers [5,6] or in solvent design [7].