Evaluation and Calibration of In Silico Models of Thrombin Generation Using Experimental Data from Healthy and Haemophilic Subjects
The coagulation cascade comprises numerous chemical reactions between many proteins, that finally lead to the formation of a clot to stop bleeding. Many numerical models have attempted to translate understanding of this cascade into mathematical equations that simulate the chain reactions. However,...
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| Published in | Bulletin of mathematical biology Vol. 80; no. 8; pp. 1989 - 2025 |
|---|---|
| Main Authors | , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
New York
Springer US
01.08.2018
Springer Nature B.V |
| Subjects | |
| Online Access | Get full text |
| ISSN | 0092-8240 1522-9602 1522-9602 |
| DOI | 10.1007/s11538-018-0440-4 |
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| Abstract | The coagulation cascade comprises numerous chemical reactions between many proteins, that finally lead to the formation of a clot to stop bleeding. Many numerical models have attempted to translate understanding of this cascade into mathematical equations that simulate the chain reactions. However, their predictions have not been validated against clinical data stemming from patients. In this paper, we propose an extensive validation of five available models, by comparing in healthy and haemophilic subjects, thrombin generation measured in vitro to thrombin generation predicted by the models in silico. In order to render the models more predictive, we calibrated the models to have an acceptable agreement between the experimental and estimated data. Optimization processes based on genetic algorithms were developed to search for those calibrated kinetic parameters. Our results show that the thrombin generation kinetics are so complex that they cannot be predicted by a unique set of kinetic parameters for all patients: the calibration of only three parameters in a subject-specific way allows reaching good model estimations for different experimental conditions realized on the same patient. |
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| AbstractList | The coagulation cascade comprises numerous chemical reactions between many proteins, that finally lead to the formation of a clot to stop bleeding. Many numerical models have attempted to translate understanding of this cascade into mathematical equations that simulate the chain reactions. However, their predictions have not been validated against clinical data stemming from patients. In this paper, we propose an extensive validation of five available models, by comparing in healthy and haemophilic subjects, thrombin generation measured in vitro to thrombin generation predicted by the models in silico. In order to render the models more predictive, we calibrated the models to have an acceptable agreement between the experimental and estimated data. Optimization processes based on genetic algorithms were developed to search for those calibrated kinetic parameters. Our results show that the thrombin generation kinetics are so complex that they cannot be predicted by a unique set of kinetic parameters for all patients: the calibration of only three parameters in a subject-specific way allows reaching good model estimations for different experimental conditions realized on the same patient. The coagulation cascade comprises numerous chemical reactions between many proteins, that finally lead to the formation of a clot to stop bleeding. Many numerical models have attempted to translate understanding of this cascade into mathematical equations that simulate the chain reactions. However, their predictions have not been validated against clinical data stemming from patients. In this paper, we propose an extensive validation of five available models, by comparing in healthy and haemophilic subjects, thrombin generation measured in vitro to thrombin generation predicted by the models in silico. In order to render the models more predictive, we calibrated the models to have an acceptable agreement between the experimental and estimated data. Optimization processes based on genetic algorithms were developed to search for those calibrated kinetic parameters. Our results show that the thrombin generation kinetics are so complex that they cannot be predicted by a unique set of kinetic parameters for all patients: the calibration of only three parameters in a subject-specific way allows reaching good model estimations for different experimental conditions realized on the same patient.The coagulation cascade comprises numerous chemical reactions between many proteins, that finally lead to the formation of a clot to stop bleeding. Many numerical models have attempted to translate understanding of this cascade into mathematical equations that simulate the chain reactions. However, their predictions have not been validated against clinical data stemming from patients. In this paper, we propose an extensive validation of five available models, by comparing in healthy and haemophilic subjects, thrombin generation measured in vitro to thrombin generation predicted by the models in silico. In order to render the models more predictive, we calibrated the models to have an acceptable agreement between the experimental and estimated data. Optimization processes based on genetic algorithms were developed to search for those calibrated kinetic parameters. Our results show that the thrombin generation kinetics are so complex that they cannot be predicted by a unique set of kinetic parameters for all patients: the calibration of only three parameters in a subject-specific way allows reaching good model estimations for different experimental conditions realized on the same patient. |
| Author | Morin, Claire Montmartin, Aurélie Cournil, Michel Chelle, Pierre Piot, Michèle Tardy-Poncet, Brigitte |
| Author_xml | – sequence: 1 givenname: Pierre surname: Chelle fullname: Chelle, Pierre organization: Mines Saint-Etienne, Univ Lyon, Univ Jean Monnet, INSERM, U 1059 Sainbiose, Centre CIS – sequence: 2 givenname: Claire surname: Morin fullname: Morin, Claire email: claire.morin@emse.fr organization: Mines Saint-Etienne, Univ Lyon, Univ Jean Monnet, INSERM, U 1059 Sainbiose, Centre CIS – sequence: 3 givenname: Aurélie surname: Montmartin fullname: Montmartin, Aurélie organization: INSERM, U1059, SAINBIOSE, F-42000, Saint Etienne, Univ Lyon, Univ Jean Monnet, INSERM – sequence: 4 givenname: Michèle surname: Piot fullname: Piot, Michèle organization: INSERM, U1059, SAINBIOSE, F-42000, Saint Etienne, Univ Lyon, Univ Jean Monnet, INSERM – sequence: 5 givenname: Michel surname: Cournil fullname: Cournil, Michel organization: Mines Saint-Etienne, Univ Lyon, Univ Jean Monnet, INSERM, U 1059 Sainbiose, Centre CIS – sequence: 6 givenname: Brigitte surname: Tardy-Poncet fullname: Tardy-Poncet, Brigitte organization: INSERM, U1059, SAINBIOSE, F-42000, Saint Etienne, Univ Lyon, Univ Jean Monnet, INSERM |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/29948884$$D View this record in MEDLINE/PubMed |
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| SubjectTerms | Bleeding Calibration Cascade chemical reactions Cell Biology Computer simulation Genetic algorithms Life Sciences Mathematical and Computational Biology Mathematical models Mathematics Mathematics and Statistics Organic chemistry Original Article Parameters Patients Predictions Proteins Reaction kinetics Thrombin |
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| Title | Evaluation and Calibration of In Silico Models of Thrombin Generation Using Experimental Data from Healthy and Haemophilic Subjects |
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