A systematic methodology for multi-objective molecular design via Analytic Hierarchy Process
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...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Ooi, Jecksin [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2017transfer abstract |
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| Schlagwörter: |
Computer Aided Molecular Design (CAMD) |
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| Umfang: |
15 |
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| Übergeordnetes Werk: |
Enthalten in: Direct visualisation of thrombi for diagnosis of tissue valve thrombosis - Karthikeyan, Ganesan ELSEVIER, 2018, Amsterdam |
|---|---|
| Übergeordnetes Werk: |
volume:111 ; year:2017 ; pages:663-677 ; extent:15 |
| Links: |
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| DOI / URN: |
10.1016/j.psep.2017.08.039 |
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ELV040626881 |
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| 520 | |a 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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. | ||
| 520 | |a 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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. | ||
| 650 | 7 | |a Computer Aided Molecular Design (CAMD) |2 Elsevier | |
| 650 | 7 | |a Molecular design |2 Elsevier | |
| 650 | 7 | |a Analytic Hierarchy Process (AHP) |2 Elsevier | |
| 650 | 7 | |a Multi-criteria |2 Elsevier | |
| 650 | 7 | |a Multi-objective optimization |2 Elsevier | |
| 650 | 7 | |a Multi-objective molecular design |2 Elsevier | |
| 700 | 1 | |a Promentilla, Michael Angelo B. |4 oth | |
| 700 | 1 | |a Tan, Raymond R. |4 oth | |
| 700 | 1 | |a Ng, Denny K.S. |4 oth | |
| 700 | 1 | |a Chemmangattuvalappil, Nishanth G. |4 oth | |
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10.1016/j.psep.2017.08.039 doi GBV00000000000361.pica (DE-627)ELV040626881 (ELSEVIER)S0957-5820(17)30294-X DE-627 ger DE-627 rakwb eng Ooi, Jecksin verfasserin aut A systematic methodology for multi-objective molecular design via Analytic Hierarchy Process 2017transfer abstract 15 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. 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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. Computer Aided Molecular Design (CAMD) Elsevier Molecular design Elsevier Analytic Hierarchy Process (AHP) Elsevier Multi-criteria Elsevier Multi-objective optimization Elsevier Multi-objective molecular design Elsevier Promentilla, Michael Angelo B. oth Tan, Raymond R. oth Ng, Denny K.S. oth Chemmangattuvalappil, Nishanth G. oth Enthalten in Elsevier Karthikeyan, Ganesan ELSEVIER Direct visualisation of thrombi for diagnosis of tissue valve thrombosis 2018 Amsterdam (DE-627)ELV000231266 volume:111 year:2017 pages:663-677 extent:15 https://doi.org/10.1016/j.psep.2017.08.039 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U AR 111 2017 663-677 15 |
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10.1016/j.psep.2017.08.039 doi GBV00000000000361.pica (DE-627)ELV040626881 (ELSEVIER)S0957-5820(17)30294-X DE-627 ger DE-627 rakwb eng Ooi, Jecksin verfasserin aut A systematic methodology for multi-objective molecular design via Analytic Hierarchy Process 2017transfer abstract 15 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. 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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. Computer Aided Molecular Design (CAMD) Elsevier Molecular design Elsevier Analytic Hierarchy Process (AHP) Elsevier Multi-criteria Elsevier Multi-objective optimization Elsevier Multi-objective molecular design Elsevier Promentilla, Michael Angelo B. oth Tan, Raymond R. oth Ng, Denny K.S. oth Chemmangattuvalappil, Nishanth G. oth Enthalten in Elsevier Karthikeyan, Ganesan ELSEVIER Direct visualisation of thrombi for diagnosis of tissue valve thrombosis 2018 Amsterdam (DE-627)ELV000231266 volume:111 year:2017 pages:663-677 extent:15 https://doi.org/10.1016/j.psep.2017.08.039 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U AR 111 2017 663-677 15 |
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10.1016/j.psep.2017.08.039 doi GBV00000000000361.pica (DE-627)ELV040626881 (ELSEVIER)S0957-5820(17)30294-X DE-627 ger DE-627 rakwb eng Ooi, Jecksin verfasserin aut A systematic methodology for multi-objective molecular design via Analytic Hierarchy Process 2017transfer abstract 15 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. 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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. Computer Aided Molecular Design (CAMD) Elsevier Molecular design Elsevier Analytic Hierarchy Process (AHP) Elsevier Multi-criteria Elsevier Multi-objective optimization Elsevier Multi-objective molecular design Elsevier Promentilla, Michael Angelo B. oth Tan, Raymond R. oth Ng, Denny K.S. oth Chemmangattuvalappil, Nishanth G. oth Enthalten in Elsevier Karthikeyan, Ganesan ELSEVIER Direct visualisation of thrombi for diagnosis of tissue valve thrombosis 2018 Amsterdam (DE-627)ELV000231266 volume:111 year:2017 pages:663-677 extent:15 https://doi.org/10.1016/j.psep.2017.08.039 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U AR 111 2017 663-677 15 |
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10.1016/j.psep.2017.08.039 doi GBV00000000000361.pica (DE-627)ELV040626881 (ELSEVIER)S0957-5820(17)30294-X DE-627 ger DE-627 rakwb eng Ooi, Jecksin verfasserin aut A systematic methodology for multi-objective molecular design via Analytic Hierarchy Process 2017transfer abstract 15 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. 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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. Computer Aided Molecular Design (CAMD) Elsevier Molecular design Elsevier Analytic Hierarchy Process (AHP) Elsevier Multi-criteria Elsevier Multi-objective optimization Elsevier Multi-objective molecular design Elsevier Promentilla, Michael Angelo B. oth Tan, Raymond R. oth Ng, Denny K.S. oth Chemmangattuvalappil, Nishanth G. oth Enthalten in Elsevier Karthikeyan, Ganesan ELSEVIER Direct visualisation of thrombi for diagnosis of tissue valve thrombosis 2018 Amsterdam (DE-627)ELV000231266 volume:111 year:2017 pages:663-677 extent:15 https://doi.org/10.1016/j.psep.2017.08.039 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U AR 111 2017 663-677 15 |
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10.1016/j.psep.2017.08.039 doi GBV00000000000361.pica (DE-627)ELV040626881 (ELSEVIER)S0957-5820(17)30294-X DE-627 ger DE-627 rakwb eng Ooi, Jecksin verfasserin aut A systematic methodology for multi-objective molecular design via Analytic Hierarchy Process 2017transfer abstract 15 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. 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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. Computer Aided Molecular Design (CAMD) Elsevier Molecular design Elsevier Analytic Hierarchy Process (AHP) Elsevier Multi-criteria Elsevier Multi-objective optimization Elsevier Multi-objective molecular design Elsevier Promentilla, Michael Angelo B. oth Tan, Raymond R. oth Ng, Denny K.S. oth Chemmangattuvalappil, Nishanth G. oth Enthalten in Elsevier Karthikeyan, Ganesan ELSEVIER Direct visualisation of thrombi for diagnosis of tissue valve thrombosis 2018 Amsterdam (DE-627)ELV000231266 volume:111 year:2017 pages:663-677 extent:15 https://doi.org/10.1016/j.psep.2017.08.039 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U AR 111 2017 663-677 15 |
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Direct visualisation of thrombi for diagnosis of tissue valve thrombosis |
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Ooi, Jecksin @@aut@@ Promentilla, Michael Angelo B. @@oth@@ Tan, Raymond R. @@oth@@ Ng, Denny K.S. @@oth@@ Chemmangattuvalappil, Nishanth G. @@oth@@ |
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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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. 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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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. |
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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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. |
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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 define the relative importance of each property in CAMD problems as target properties that belong to different categories cannot be compared on a common scale. It is crucial to solve this issue as distinct solutions will be generated due to different weighting factors of each property. In this work, a systematic framework that combines CAMD and Analytic Hierarchy Process (AHP) is developed to deal with the ambiguities involved in assessing the relative importance weightings of target properties in multi-objective molecular design problem. Through AHP, molecular design problems can be approached as a hierarchical decision structure and different categories of target properties are combined in the same analysis. Besides, AHP has the ability to generate numerical priorities from the subjective knowledge in evaluating the relative importance of properties using pairwise comparison. A case study on solvent design for oil extraction from palm pressed fibre is solved to illustrate the proposed methodology. |
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