Project Team
Students
Anbi Guo
Computer Science
Penn State Harrisburg
Faculty Mentors
Hyuntae Na
Penn State Harrisburg
Computer Science, School of Science, Engineering, and Technology
Young Kun Ko
Penn State University Park
School of Electrical Engineering and Computer Science
Project
Project Video
Project Abstract
Finding the maximum common subgraph (MCS) between chemical structures can help understand molecular similarities, which in turn can help optimize drug design. However, MCS is found to be an NP problem that requires efficient algorithms to solve. The BK algorithm is an algorithm for finding all maximum cliques of a graph, so in this research, by converting the MCS problem into a maximum clique problem, we try to use the BK algorithm to find the MCS of two chemical structures. But the efficiency is very low. The goal of follow-up research is to improve the algorithm and reduce the number of operations.
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