A novel chemical product design framework with the integration of safety and health aspects

• Main Authors: Ten, J. Y., Hassim, M. H., Chemmangattuvalappil, N., Ng, D. K. S.
• Format: Article
• Published: Elsevier Ltd 2016
• Subjects: TP Chemical technology
• Online Access: http://eprints.utm.my/id/eprint/73849/; https://www.scopus.com/inward/record.uri?eid=2-s2.0-84960111627&doi=10.1016%2fj.jlp.2015.11.027&partnerID=40&md5=7301d880e2c2edb94eeedc66483fd94d

Computer-aided molecular design (CAMD) technique is a powerful tool for the design of molecules that meet a set of desirable properties. In most of the CAMD problems, the molecular physical and thermodynamic properties are often selected as the target properties, while safety and health aspects were...