PN 2

SimTech EXC 2075 Project Network 2 "In silico models of coupled biological systems"

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1 to 10 of 340 Results

Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference Dec 9, 2025 - PN 2-6 Range, Jan Peter; Pleiss, Jürgen; Bommarius, Andreas, 2025, "Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference", https://doi.org/10.18419/DARUS-5539, DaRUS, V1, UNF:6:l47sIu5Gd2e6cn3HDM5h6g== [fileUNF] α-Amino ester hydrolases (AEHs) offer a promising route to the stereoselective synthesis of β-lactams such as cephalexin. However, published kinetic studies have encountered difficulty when extended beyond fitting of the data, indicating practical non-identifiability of the underlying kinetic models. Here, we address this issue using Bayesian infer...
cex_pg_parity_plot.pdf Dec 9, 2025 - Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference Adobe PDF - 68.1 KB - MD5: c4b1453a78f3efe76d6878dd547164cd
cex_pg_parity_plot.png Dec 9, 2025 - Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference PNG Image - 288.6 KB - MD5: f295ef2ceacb3ebe05407bcaa37fa573
_cex_pg_parity_plot.py Dec 9, 2025 - Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference Python Source Code - 14.0 KB - MD5: 256cc97eaa1b85e7acd572c79a160719
cex_pg_parity_plot.svg Dec 9, 2025 - Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference SVG Image - 447.0 KB - MD5: 5b09920248122ec198e8af0084d9b6e2
_compare.py Dec 9, 2025 - Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference Python Source Code - 394 B - MD5: ccaae6a9934320e04e1007b2086afc1d
comparison.png Dec 9, 2025 - Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference PNG Image - 18.9 KB - MD5: 81f4526f066d0a7e2c397f504c1a1aa3
data.npy Dec 9, 2025 - Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference Unknown - 1.4 KB - MD5: ef4cfe82ace08fc552f25f7a6508d0fc
fit_all.sh Dec 9, 2025 - Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference Shell Script - 436 B - MD5: 2968eefbfb930667932a78dd9ce01ecf
model_04_bi_fitted.png Dec 9, 2025 - Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference PNG Image - 998.8 KB - MD5: 3181219f5fba12bdfac66b3f38af2621

Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference

Dec 9, 2025 - PN 2-6

Range, Jan Peter; Pleiss, Jürgen; Bommarius, Andreas, 2025, "Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference", https://doi.org/10.18419/DARUS-5539, DaRUS, V1, UNF:6:l47sIu5Gd2e6cn3HDM5h6g== [fileUNF]

α-Amino ester hydrolases (AEHs) offer a promising route to the stereoselective synthesis of β-lactams such as cephalexin. However, published kinetic studies have encountered difficulty when extended beyond fitting of the data, indicating practical non-identifiability of the underlying kinetic models. Here, we address this issue using Bayesian infer...

cex_pg_parity_plot.pdf

Dec 9, 2025 - Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference

Adobe PDF - 68.1 KB -

cex_pg_parity_plot.png

Dec 9, 2025 - Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference

PNG Image - 288.6 KB -

_cex_pg_parity_plot.py

Dec 9, 2025 - Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference

Python Source Code - 14.0 KB -

cex_pg_parity_plot.svg

Dec 9, 2025 - Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference

SVG Image - 447.0 KB -