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Enhancing molecular safety and health assessment via index smoothing and prioritisation

Ten, Joon Yoon and Hassim, Mimi H. and Promentilla, Michael Angelo B. and Tan, Raymond R. and Ng, Denny K. S. and Chemmangattuvalappil, Nishanth G. (2018) Enhancing molecular safety and health assessment via index smoothing and prioritisation. Molecular Systems Design & Engineering, 3 (1). pp. 113-130. ISSN 2058-9689

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Official URL: http://dx.doi.org/10.1039/c7me00073a


In recent decades, safety and health aspects have received much attention in the field of computer-aided molecular design (CAMD). To satisfy the more stringent requirements of regulating agencies, a product must not only achieve its desired function as defined by the customers but also meet safety and health criteria to ensure that the risk posed to users can be minimised to acceptable levels. One of the promising methods to efficiently measure the safety and health aspects of chemical substances is the application of inherent safety and occupational health indexes. These indexes consist of multiple safety and health hazard parameters to assess the physicochemical properties of molecules. The properties are divided into multiple sub-ranges, each of which is assigned a penalty value that corresponds to its degree of hazard. In this work, the penalty values are computed to ensure a smooth transition from one category to another. The quantification of the overall safety and health performance is improved by combining the ordered weighted averaging (OWA) operator method with the analytic hierarchy process (AHP). A case study on solvent design for carotenoid extraction from palm pressed fibre (PPF) illustrates the proposed methodology.

Item Type:Article
Uncontrolled Keywords:safety, health
Subjects:T Technology > TP Chemical technology
Divisions:Chemical and Energy Engineering
ID Code:85942
Deposited By: Widya Wahid
Deposited On:30 Jul 2020 15:39
Last Modified:30 Jul 2020 15:39

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