Chemical compounds

Novel Data Mining Methods for Virtual Screening of Biological Active Chemical Compounds by Othman Soufan

Othman Soufan, Ph.D., Computer Science

Nov 16, 14:00 - 15:00

H2 B9

machine learning data mining Computational biology biomedical applications Chemical compounds visualization

Abstract Drug discovery is a process that takes many years and hundreds of millions of dollars to reveal a con dent conclusion about a specific treatment. Part of this sophisticated process is based on preliminary investigations to suggest a set of chemical compounds as candidate drugs for the treatment. Computational resources have been playing a significant role in this part through a step known as virtual screening. From a data mining perspective, the availability of rich data resources is key in training prediction models. Yet, the difficulties imposed by big expansion in data and its