A systematic methodology for multi-objective molecular design via analytic hierarchy process

• Main Authors: Ooi, Jecksin, Promentilla, Michael Angelo B., Tan, Raymond Girard R., Ng, Denny K.S., Chemmangattuvalappil, Nishanth G.
• Format: text
• Published: Animo Repository 2017
• Subjects: Multiple criteria decision making; Molecular structure; Chemical Engineering
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/1657; https://animorepository.dlsu.edu.ph/context/faculty_research/article/2656/type/native/viewcontent
• Institution: De La Salle University

This paper presents a novel methodology for solving multi-objective Computer Aided Molecular Design (CAMD) problems. One of the major challenges in multi-objective CAMD problems is the subjectivity involved in assigning the weighting factors to each property that is optimised. It is difficult to def...