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: | text |
Published: |
Animo Repository
2018
|
Subjects: | |
Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/4483 |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Institution: | De La Salle University |
id |
oai:animorepository.dlsu.edu.ph:faculty_research-5249 |
---|---|
record_format |
eprints |
spelling |
oai:animorepository.dlsu.edu.ph:faculty_research-52492022-06-25T05:55:36Z Enhancing molecular safety and health assessment: Via index smoothing and prioritisation Ten, Joon Yoon Hassim, Mimi H. Promentilla, Michael Angelo B. Tan, Raymond Girard R. Ng, Denny K.S. Chemmangattuvalappil, Nishanth G. 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. © 2018 The Royal Society of Chemistry. 2018-02-01T08:00:00Z text https://animorepository.dlsu.edu.ph/faculty_research/4483 info:doi/10.1039/c7me00073a Faculty Research Work Animo Repository Molecular structure Computer-aided design Chemicals—Safety measures Chemicals—Law and legislation Chemical Engineering |
institution |
De La Salle University |
building |
De La Salle University Library |
continent |
Asia |
country |
Philippines Philippines |
content_provider |
De La Salle University Library |
collection |
DLSU Institutional Repository |
topic |
Molecular structure Computer-aided design Chemicals—Safety measures Chemicals—Law and legislation Chemical Engineering |
spellingShingle |
Molecular structure Computer-aided design Chemicals—Safety measures Chemicals—Law and legislation Chemical Engineering Ten, Joon Yoon Hassim, Mimi H. Promentilla, Michael Angelo B. Tan, Raymond Girard 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. © 2018 The Royal Society of Chemistry. |
format |
text |
author |
Ten, Joon Yoon Hassim, Mimi H. Promentilla, Michael Angelo B. Tan, Raymond Girard R. Ng, Denny K.S. Chemmangattuvalappil, Nishanth G. |
author_facet |
Ten, Joon Yoon Hassim, Mimi H. Promentilla, Michael Angelo B. Tan, Raymond Girard 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 |
Animo Repository |
publishDate |
2018 |
url |
https://animorepository.dlsu.edu.ph/faculty_research/4483 |
_version_ |
1767196093579264000 |