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An automated computational approach to kinetic model discrimination and parameter estimation

Published:2021 Issue:8 Volume:6 Page:1404-1411
ISSN:2058-9883
Container-title:Reaction Chemistry & Engineering
language:en
Short-container-title:React. Chem. Eng.

Author:

Taylor Connor J.¹²³⁴⁵^ORCID,Seki Hikaru⁶⁷⁸⁵^ORCID,Dannheim Friederike M.⁶⁷⁸⁵^ORCID,Willis Mark J.⁹¹⁰¹¹⁵,Clemens Graeme¹²¹³¹⁴⁵,Taylor Brian A.¹²¹³¹⁴⁵,Chamberlain Thomas W.¹²³⁴⁵^ORCID,Bourne Richard A.¹²³⁴⁵^ORCID

Affiliation:

1. Institute of Process Research and Development

2. School of Chemistry and School of Chemical and Process Engineering

3. University of Leeds

4. Leeds

5. UK

6. Department of Chemistry

7. University of Cambridge

8. Cambridge

9. School of Engineering

10. University of Newcastle

11. Newcastle upon Tyne

12. Chemical Development, Pharmaceutical Technology & Development, Operations

13. AstraZeneca

14. Macclesfield

Abstract

We herein report experimental applications of a novel, automated computational approach to chemical reaction network (CRN) identification.

Funder

Engineering and Physical Sciences Research Council

University of Leeds

AstraZeneca

Biotechnology and Biological Sciences Research Council

Royal Academy of Engineering

Publisher

Royal Society of Chemistry (RSC)

Subject

Fluid Flow and Transfer Processes,Process Chemistry and Technology,Chemical Engineering (miscellaneous),Chemistry (miscellaneous),Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/RE/D1RE00098E

Reference44 articles.

1. New product development process and time-to-market in the generic pharmaceutical industry

2. Improving Pharmaceutical Product Development and Manufacturing: Impact on Cost of Drug Development and Cost of Goods Sold of Pharmaceuticals

3. Modelling chemical kinetics of a complex reaction network of active pharmaceutical ingredient (API) synthesis with process optimization for benzazepine heterocyclic compound

4. Process Design and Optimization for the Continuous Manufacturing of Nevirapine, an Active Pharmaceutical Ingredient for HIV Treatment

5. Anticipation of scale up issues in pharmaceutical development

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