From 2e331fdfbcf0cd0725f77adfb929c319732f52ba Mon Sep 17 00:00:00 2001 From: DavAug Date: Sun, 14 Jan 2024 13:16:24 +0000 Subject: [PATCH] tweaks --- paper.bib | 24 ++++++++++++++++++++++++ paper.md | 6 +++--- 2 files changed, 27 insertions(+), 3 deletions(-) diff --git a/paper.bib b/paper.bib index 43392b82..1f720b2e 100644 --- a/paper.bib +++ b/paper.bib @@ -182,4 +182,28 @@ @article{clerx2016myokit year={2016}, doi={10.1016/j.pbiomolbio.2015.12.008}, publisher={Elsevier} +} + +@ARTICLE{2020SciPy-NMeth, + author = {Virtanen, Pauli and Gommers, Ralf and Oliphant, Travis E. and + Haberland, Matt and Reddy, Tyler and Cournapeau, David and + Burovski, Evgeni and Peterson, Pearu and Weckesser, Warren and + Bright, Jonathan and {van der Walt}, St{\'e}fan J. and + Brett, Matthew and Wilson, Joshua and Millman, K. Jarrod and + Mayorov, Nikolay and Nelson, Andrew R. J. and Jones, Eric and + Kern, Robert and Larson, Eric and Carey, C J and + Polat, {\.I}lhan and Feng, Yu and Moore, Eric W. and + {VanderPlas}, Jake and Laxalde, Denis and Perktold, Josef and + Cimrman, Robert and Henriksen, Ian and Quintero, E. A. and + Harris, Charles R. and Archibald, Anne M. and + Ribeiro, Ant{\^o}nio H. and Pedregosa, Fabian and + {van Mulbregt}, Paul and {SciPy 1.0 Contributors}}, + title = {{{SciPy} 1.0: Fundamental Algorithms for Scientific + Computing in Python}}, + journal = {Nature Methods}, + year = {2020}, + volume = {17}, + pages = {261--272}, + adsurl = {https://rdcu.be/b08Wh}, + doi = {10.1038/s41592-019-0686-2}, } \ No newline at end of file diff --git a/paper.md b/paper.md index 6cabc199..361da66f 100644 --- a/paper.md +++ b/paper.md @@ -20,11 +20,11 @@ bibliography: paper.bib # Summary -[Chi](https://chi.readthedocs.io) is an open source Python package designed for the modelling of treatment responses, with support for implementation, simulation and inference. Supported treatment response models include pharmacokinetic & pharmacodynamic (PKPD) models, physiology-based pharmacokinetic (PBPK) models, quantitative systems pharmacology (QSP) models, and nonlinear mixed effects (NLME) models. The package provides two flexible interfaces to implement single-individual treatment response models: 1. an SBML interface, which implements models based on SBML file specifications [@hucka:2003]; and 2. a general purpose interface that allows users to implement their own, custom models using Python code. Models implemented using SBML files automatically implement routines to administer custom dosing regimens and to evaluate parameter sensitivities using the simulation engine [Myokit](http://myokit.org/) [@clerx2016myokit]. These single-individual treatment response models can then be extending to NLME models, making the simulation of inter-individual variability of treatment responses possible. +[Chi](https://chi.readthedocs.io) is an open source Python package designed for the modelling of treatment responses with support for implementation, simulation and inference. Supported treatment response models include pharmacokinetic & pharmacodynamic (PKPD) models, physiology-based pharmacokinetic (PBPK) models, quantitative systems pharmacology (QSP) models, and nonlinear mixed effects (NLME) models. The package provides two interfaces to implement single-individual treatment response models: 1. an SBML interface, which implements models based on SBML file specifications [@hucka:2003]; and 2. a general purpose interface that allows users to implement their own, custom models using Python code. Models implemented using SBML files automatically provide routines to administer dosing regimens and to evaluate parameter sensitivities using the simulation engine [Myokit](http://myokit.org/) [@clerx2016myokit]. These single-individual treatment response models can be extended to NLME models, making the simulation of inter-individual variability of treatment responses possible. -In [Chi](https://chi.readthedocs.io), model parameters can be estimated from data using Bayesian inference. We provide a simple interface to estimate posterior distributions of model parameters for individuals, e.g. PKPD model parameters, or for populations, i.e. NLME model parameters. [Chi](https://chi.readthedocs.io) also implements filter inference, a novel inference approach which makes the estimation of NLME model parameters from snapshot time series data possible [@Augustin:2023]. +In [Chi](https://chi.readthedocs.io), model parameters can be estimated from data using Bayesian inference. We provide a simple interface to estimate posterior distributions of model parameters from single-patient data or from population data. The package also implements filter inference, a novel inference approach which makes the estimation of NLME model parameters from snapshot time series data possible [@Augustin:2023]. In the context of model-informed precision dosing, [Chi](https://chi.readthedocs.io) may also be used to optimise dosing regimens in order to target a desired treatment response. -For the sampling from posterior distributions, [Chi](https://chi.readthedocs.io) uses Markov chain Monte Carlo (MCMC) algorithms implemented in the Python package [PINTS](https://pints.readthedocs.io/en/stable/) [@Clerx:2019]. +For the sampling from posterior distributions, [Chi](https://chi.readthedocs.io) uses Markov chain Monte Carlo (MCMC) algorithms implemented in the Python package [PINTS](https://pints.readthedocs.io/en/stable/) [@Clerx:2019]. For the optimisation of dosing regimens, different optimisers can be used, including optimisers implemented in SciPy or in [PINTS](https://pints.readthedocs.io/en/stable/) [@2020SciPy-NMeth,@Clerx:2019]. Documentation, tutorials and install instructions are available at https://chi.readthedocs.io.