The increasing use of information technology in the discovery of new molecular entities encourages the use of modern molecular-modeling tools to help teach important concepts of drug design to chemistry and pharmacy undergraduate students. In particular, statistical models such as quantitative structure--activity relationships (QSAR)--often as its…

Principal component analysis (PCA) is one of the most important and powerful methods in chemometrics as well as in a wealth of other areas. Running a PCA results in two main elements, the score plot and the loading plot; the score plot provides the location of the samples, and the loading plot indicates correlations among variables, the trends in…

The IADIS CELDA 2012 Conference intention was to address the main issues concerned with evolving learning processes and supporting pedagogies and applications in the digital age. There had been advances in both cognitive psychology and computing that have affected the educational arena. The convergence of these two disciplines is increasing at a…