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Prediction and Preparation of Co-amorphous Phases of a Bislactam [dataset] Open Access
The effectiveness of a partial least squares – discriminant analysis co-amorphous prediction model was tested using a co-amorphous screening data for the dimer of N vinyl(caprolactam) (bisVCap) as co-former with a range of active pharmaceutical ingredients. The prediction model predicted 71% of the systems correctly. An experimental co-amorphous screen was performed with this co-former with 13 different active pharmaceutical ingredients and the results were compared to the prediction model. A total of 85% of the systems correctly predicted. Stability assessments of three co-amorphous systems showed that the prediction model does not provide information on the stability of the co-amorphous material. The model was shown to perform well with small molecules which were different to the training set used to produce it.
Descriptions
- Resource type
- Dataset
- Contributors
- Contact person:
Steed, Jonathan
1
Editor: Steed, Jonathan 1
Creator: Chambers, Luke 1
Data collector: Chambers, Luke 1
1 Durham University, UK
- Funder
-
Engineering and Physical Sciences Research Council
Ashland
- Research methods
- Other description
- Keyword
- Coamorphous phases
Pharmaceuticals
Lactam
- Subject
-
Chemistry, Physical and theoretical
- Location
- Language
- English
- Cited in
- Identifier
- ark:/32150/r2gq67jr208
doi:10.15128/r2gq67jr208
- Rights
- Creative Commons Attribution 4.0 International (CC BY)
- Publisher
-
Durham University
- Date Created
-
25/04/2022
File Details
- Depositor
- J.W. Steed
- Date Uploaded
- 25 April 2022, 10:04:32
- Date Modified
- 25 April 2022, 12:04:52
- Audit Status
- Audits have not yet been run on this file.
- Characterization
-
File format: zip (ZIP Format)
Mime type: application/zip
File size: 8773059
Last modified: 2022:04:25 11:35:00+01:00
Filename: Coam Data.zip
Original checksum: de58359fa6b6037e542444344418aa3b
| User Activity | Date |
|---|---|
| User N. Syrotiuk has updated Prediction and Preparation of Co-amorphous Phases of a Bislactam [dataset] | about 2 years ago |
| User N. Syrotiuk has updated Prediction and Preparation of Co-amorphous Phases of a Bislactam [dataset] | about 2 years ago |
| User N. Syrotiuk has updated Prediction and Preparation of Co-amorphous Phases of a Bislactam [dataset] | about 2 years ago |
| User J.W. Steed has updated Underlying data for 'Prediction and Preparation of Co-amorphous Phases of a Bislactam' | about 2 years ago |
| User J.W. Steed has updated Underlying data for 'Prediction and Preparation of Co-amorphous Phases of a Bislactam' | about 2 years ago |
| User J.W. Steed has deposited Coam Data.zip | about 2 years ago |