Enhancing molecular safety and health assessment via index smoothing and prioritisation
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 a...
Saved in:
Main Authors: | , , , , , |
---|---|
Format: | Article |
Published: |
Royal Society of Chemistry
2018
|
Subjects: | |
Online Access: | http://eprints.utm.my/id/eprint/85942/ http://dx.doi.org/10.1039/c7me00073a |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
id |
my.utm.85942 |
---|---|
record_format |
eprints |
spelling |
my.utm.859422020-07-30T07:39:04Z http://eprints.utm.my/id/eprint/85942/ Enhancing molecular safety and health assessment via index smoothing and prioritisation Ten, Joon Yoon Hassim, Mimi H. Promentilla, Michael Angelo B. Tan, Raymond R. Ng, Denny K. S. Chemmangattuvalappil, Nishanth G. TP Chemical technology 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. Royal Society of Chemistry 2018-02 Article PeerReviewed 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 http://dx.doi.org/10.1039/c7me00073a |
institution |
Universiti Teknologi Malaysia |
building |
UTM Library |
collection |
Institutional Repository |
continent |
Asia |
country |
Malaysia |
content_provider |
Universiti Teknologi Malaysia |
content_source |
UTM Institutional Repository |
url_provider |
http://eprints.utm.my/ |
topic |
TP Chemical technology |
spellingShingle |
TP Chemical technology Ten, Joon Yoon Hassim, Mimi H. Promentilla, Michael Angelo B. Tan, Raymond R. Ng, Denny K. S. Chemmangattuvalappil, Nishanth G. Enhancing molecular safety and health assessment via index smoothing and prioritisation |
description |
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. |
format |
Article |
author |
Ten, Joon Yoon Hassim, Mimi H. Promentilla, Michael Angelo B. Tan, Raymond R. Ng, Denny K. S. Chemmangattuvalappil, Nishanth G. |
author_facet |
Ten, Joon Yoon Hassim, Mimi H. Promentilla, Michael Angelo B. Tan, Raymond R. Ng, Denny K. S. Chemmangattuvalappil, Nishanth G. |
author_sort |
Ten, Joon Yoon |
title |
Enhancing molecular safety and health assessment via index smoothing and prioritisation |
title_short |
Enhancing molecular safety and health assessment via index smoothing and prioritisation |
title_full |
Enhancing molecular safety and health assessment via index smoothing and prioritisation |
title_fullStr |
Enhancing molecular safety and health assessment via index smoothing and prioritisation |
title_full_unstemmed |
Enhancing molecular safety and health assessment via index smoothing and prioritisation |
title_sort |
enhancing molecular safety and health assessment via index smoothing and prioritisation |
publisher |
Royal Society of Chemistry |
publishDate |
2018 |
url |
http://eprints.utm.my/id/eprint/85942/ http://dx.doi.org/10.1039/c7me00073a |
_version_ |
1674066231085236224 |
score |
13.18916 |