Evaluation of Prediction Models for the Capping and Breaking Force of Tablets Using Machine Learning Tools in Wet Granulation Commercial-Scale Pharmaceutical Manufacturing
<b>Background/Objectives</b>: This study aimed to establish a predictive model for critical quality attributes (CQAs) related to tablet integrity, including tablet breaking force (TBF), friability, and capping occurrence, using machine learning-based models and nondestructive experimenta...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-12-01
|
| Series: | Pharmaceuticals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1424-8247/18/1/23 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832587706104807424 |
|---|---|
| author | Sun Ho Kim Su Hyeon Han Dong-Wan Seo Myung Joo Kang |
| author_facet | Sun Ho Kim Su Hyeon Han Dong-Wan Seo Myung Joo Kang |
| author_sort | Sun Ho Kim |
| collection | DOAJ |
| description | <b>Background/Objectives</b>: This study aimed to establish a predictive model for critical quality attributes (CQAs) related to tablet integrity, including tablet breaking force (TBF), friability, and capping occurrence, using machine learning-based models and nondestructive experimental data. <b>Methods</b>: The machine learning-based models were trained on data to predict the CQAs of metformin HCl (MF)-containing tablets using a commercial-scale wet granulation process, and five models were each compared for regression and classification. We identified eight input variables associated with the process and material parameters that control the tableting outcome using feature importance analysis. <b>Results</b>: Among the models, the Gaussian Process regression model provided the most successful results, with <i>R</i><sup>2</sup> values of 0.959 and 0.949 for TBF and friability, respectively. Capping occurrence was accurately predicted by all models, with the Boosted Trees model achieving a 97.80% accuracy. Feature importance analysis revealed that the compression force and magnesium stearate fraction were the most influential parameters in CQA prediction and are input variables that could be used in CQA prediction. <b>Conclusions</b>: These findings indicate that TBF, friability, and capping occurrence were successfully modeled using machine learning with a large dataset by constructing regression and classification models. Applying these models before tablet manufacturing can enhance product quality during wet granulation scale-up, particularly by preventing capping during the manufacturing process without damaging the tablets. |
| format | Article |
| id | doaj-art-427fc866447e4da99af56378406fac65 |
| institution | Kabale University |
| issn | 1424-8247 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Pharmaceuticals |
| spelling | doaj-art-427fc866447e4da99af56378406fac652025-01-24T13:45:02ZengMDPI AGPharmaceuticals1424-82472024-12-011812310.3390/ph18010023Evaluation of Prediction Models for the Capping and Breaking Force of Tablets Using Machine Learning Tools in Wet Granulation Commercial-Scale Pharmaceutical ManufacturingSun Ho Kim0Su Hyeon Han1Dong-Wan Seo2Myung Joo Kang3College of Pharmacy, Dankook University, 119, Dandae-ro, Dongnam-gu, Cheonan-si 31116, Republic of KoreaDepartment of Mechanical Engineering, Kongju National University, 1223-24, Cheonan-daero, Seobuk-gu, Cheonan-si 31080, Republic of KoreaCollege of Pharmacy, Dankook University, 119, Dandae-ro, Dongnam-gu, Cheonan-si 31116, Republic of KoreaCollege of Pharmacy, Dankook University, 119, Dandae-ro, Dongnam-gu, Cheonan-si 31116, Republic of Korea<b>Background/Objectives</b>: This study aimed to establish a predictive model for critical quality attributes (CQAs) related to tablet integrity, including tablet breaking force (TBF), friability, and capping occurrence, using machine learning-based models and nondestructive experimental data. <b>Methods</b>: The machine learning-based models were trained on data to predict the CQAs of metformin HCl (MF)-containing tablets using a commercial-scale wet granulation process, and five models were each compared for regression and classification. We identified eight input variables associated with the process and material parameters that control the tableting outcome using feature importance analysis. <b>Results</b>: Among the models, the Gaussian Process regression model provided the most successful results, with <i>R</i><sup>2</sup> values of 0.959 and 0.949 for TBF and friability, respectively. Capping occurrence was accurately predicted by all models, with the Boosted Trees model achieving a 97.80% accuracy. Feature importance analysis revealed that the compression force and magnesium stearate fraction were the most influential parameters in CQA prediction and are input variables that could be used in CQA prediction. <b>Conclusions</b>: These findings indicate that TBF, friability, and capping occurrence were successfully modeled using machine learning with a large dataset by constructing regression and classification models. Applying these models before tablet manufacturing can enhance product quality during wet granulation scale-up, particularly by preventing capping during the manufacturing process without damaging the tablets.https://www.mdpi.com/1424-8247/18/1/23machine learningcapping predictiontablet breaking forcepermutation feature importance analysis |
| spellingShingle | Sun Ho Kim Su Hyeon Han Dong-Wan Seo Myung Joo Kang Evaluation of Prediction Models for the Capping and Breaking Force of Tablets Using Machine Learning Tools in Wet Granulation Commercial-Scale Pharmaceutical Manufacturing Pharmaceuticals machine learning capping prediction tablet breaking force permutation feature importance analysis |
| title | Evaluation of Prediction Models for the Capping and Breaking Force of Tablets Using Machine Learning Tools in Wet Granulation Commercial-Scale Pharmaceutical Manufacturing |
| title_full | Evaluation of Prediction Models for the Capping and Breaking Force of Tablets Using Machine Learning Tools in Wet Granulation Commercial-Scale Pharmaceutical Manufacturing |
| title_fullStr | Evaluation of Prediction Models for the Capping and Breaking Force of Tablets Using Machine Learning Tools in Wet Granulation Commercial-Scale Pharmaceutical Manufacturing |
| title_full_unstemmed | Evaluation of Prediction Models for the Capping and Breaking Force of Tablets Using Machine Learning Tools in Wet Granulation Commercial-Scale Pharmaceutical Manufacturing |
| title_short | Evaluation of Prediction Models for the Capping and Breaking Force of Tablets Using Machine Learning Tools in Wet Granulation Commercial-Scale Pharmaceutical Manufacturing |
| title_sort | evaluation of prediction models for the capping and breaking force of tablets using machine learning tools in wet granulation commercial scale pharmaceutical manufacturing |
| topic | machine learning capping prediction tablet breaking force permutation feature importance analysis |
| url | https://www.mdpi.com/1424-8247/18/1/23 |
| work_keys_str_mv | AT sunhokim evaluationofpredictionmodelsforthecappingandbreakingforceoftabletsusingmachinelearningtoolsinwetgranulationcommercialscalepharmaceuticalmanufacturing AT suhyeonhan evaluationofpredictionmodelsforthecappingandbreakingforceoftabletsusingmachinelearningtoolsinwetgranulationcommercialscalepharmaceuticalmanufacturing AT dongwanseo evaluationofpredictionmodelsforthecappingandbreakingforceoftabletsusingmachinelearningtoolsinwetgranulationcommercialscalepharmaceuticalmanufacturing AT myungjookang evaluationofpredictionmodelsforthecappingandbreakingforceoftabletsusingmachinelearningtoolsinwetgranulationcommercialscalepharmaceuticalmanufacturing |