Modeling of selection process during evaluation of clusters chemical of chemical compounds in the drug discovery process

Abstract

Topic: Modeling the selection process during evaluation of clusters of chemical compounds in the drug discovery process:

Drug development is a lengthy and expensive process which undergoes several stages. To reduce on the time and money, pharmaceutical companies tend to maintain a library of chemical compounds that are screened for some drug-like activities. To increase on the number of hits in screening process large volumes of compounds are required which can be got from vendors. However, this come with challenges on evaluation of compounds worth purchasing hence experts are employed to help in the correct evaluation process. Since the process is lengthy and tiresome, we therefore need to come-up with proper evaluation procedure for example letting expert evaluate cluster of compounds based on their appropriate time schedule. However, such a procedure can introduce selection bias. Therefore the main gist of the project was to explore an alternative method to model the se