PBTK Optimizer: An Open Source Application for PBTK Model Parameter Optimization in Python

Results – Michaelis-Menten and First Order Kinetics.

OPT METH	AIC	RED CHI-SQ	#EVALS	KK	KL	KR	KMK	KML	KMR	VMAXK	VMAXL	VMAXR
Initial				0.0230	0.0380	0.0189	5582	3050	1525	12400	6790	3395
leatfsq	351	1093	34	0.0230	0.0380	0.0189	5582	3050	1525	12400	6790	3395
lbfgsb	351	1093	821	0.0230	0.0380	0.0189	5582	3050	1525	12400	6790	3395
cg	351	1093	1639	0.0230	0.0380	0.0189	5582	3050	1525	12400	6790	3395
cobyla	350	1062	2888	0.0743	0.0001	0.0000	5583	3051	1526	12400	6790	3395
tnc	351	1093	6	0.0230	0.0380	0.0189	5582	3050	1525	12400	6790	3395
slsqp	449	8148	821	3929	1427	1695	10161	716	2394	13703	416	3465
brute	No Result
diff_ev	No Result
emcee	No Result

Results – Only First Order Kinetics.

OPTIMIZATION METHOD	AIC	RED CHI-SQ	#EVALS	KK	KL	KR
Initial				0.0230	0.0380	0.0189
leastsq	342	1003	34	0.0761	0.0002	0.0266
lbfgsb	339	952	193	0.0294	0.0408	0.0234
cg	339	950	279	0.0306	0.0423	0.0192
cobyla	338	933	4001	0.0968	0.0084	0.0001
tnc	339	949	70	0.0307	0.0430	0.0187
slsqp	339	953	153	0.0000	0.3846	0.0067
brute	No Result
cfiff_ev	339	946	1072	0.0259	0.0737	0.0071
emcee	338	929	372	0.1253	0.0000	0.0000

DOI: https://doi.org/10.5334/jors.285 | Journal eISSN: 2049-9647

Language: English

Submitted on: Jul 9, 2019

Accepted on: Feb 17, 2021

Published on: Apr 14, 2021

Published by: Ubiquity Press

In partnership with: Paradigm Publishing Services

Publication frequency: 1 issue per year

Keywords:

© 2021 Ian Edhlund, Matthew Macauley, Cindy Lee, published by Ubiquity Press
This work is licensed under the Creative Commons Attribution 4.0 License.

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