Pinned Repositories
bittersweet
IRsweeteners
This project proposes a novel method of FTIR coupled with computational models to identify and quantify the multianalytes of artificial sweeteners. The method developed in this study, which combined qualitative and quantitative processing in the determination of compounds by multivariate analysis, can be employed to expand the application of FTIR.
MaillardPy
Maillard reaction prediction
Milk_FT-IR
Milk heat treatments_FT-IR
Milk_FT-IR-1
Milk heat treatments_FT-IR
mxnet_l
Learning MXNET and Gluon
Probabilistic-Programming-and-Bayesian-Methods-for-Hackers
aka "Bayesian Methods for Hackers": An introduction to Bayesian methods + probabilistic programming with a computation/understanding-first, mathematics-second point of view. All in pure Python ;)
pyumami
Umami substances can increase the overall taste of food and bring pleasure to people. However, the umami substances excavated in previous studies were limited, mainly because the crystalline structure of the umami receptor and the taste-sensing mechanism remain undetermined. This study presents an in silico approach based on QSAR models and molecular docking to explore novel umami molecules with bitter and sweet characteristics. We determined the toxicity of 169 potential umami molecules and found the concentration of 10 nontoxic molecules in food. We also verified 18 small umami molecules, which had more intense umami characteristics than sodium glutamate, such as celeston and trichlorogalactosucrose. These new umami molecules are expected to contribute to the study of the crystal structure of umami receptors and taste-sensing mechanisms in the aspect of molecular dynamics and to provide a theoretical basis for the practical application of new umami molecules in food.
rexgen_direct
Template-free prediction of organic reaction outcomes
screenshots
Simple Screenshots as a Service (Django, Selenium)
wzhanglab's Repositories
wzhanglab/Milk_FT-IR
Milk heat treatments_FT-IR
wzhanglab/bittersweet
wzhanglab/IRsweeteners
This project proposes a novel method of FTIR coupled with computational models to identify and quantify the multianalytes of artificial sweeteners. The method developed in this study, which combined qualitative and quantitative processing in the determination of compounds by multivariate analysis, can be employed to expand the application of FTIR.
wzhanglab/MaillardPy
Maillard reaction prediction
wzhanglab/Milk_FT-IR-1
Milk heat treatments_FT-IR
wzhanglab/mxnet_l
Learning MXNET and Gluon
wzhanglab/Probabilistic-Programming-and-Bayesian-Methods-for-Hackers
aka "Bayesian Methods for Hackers": An introduction to Bayesian methods + probabilistic programming with a computation/understanding-first, mathematics-second point of view. All in pure Python ;)
wzhanglab/pyumami
Umami substances can increase the overall taste of food and bring pleasure to people. However, the umami substances excavated in previous studies were limited, mainly because the crystalline structure of the umami receptor and the taste-sensing mechanism remain undetermined. This study presents an in silico approach based on QSAR models and molecular docking to explore novel umami molecules with bitter and sweet characteristics. We determined the toxicity of 169 potential umami molecules and found the concentration of 10 nontoxic molecules in food. We also verified 18 small umami molecules, which had more intense umami characteristics than sodium glutamate, such as celeston and trichlorogalactosucrose. These new umami molecules are expected to contribute to the study of the crystal structure of umami receptors and taste-sensing mechanisms in the aspect of molecular dynamics and to provide a theoretical basis for the practical application of new umami molecules in food.
wzhanglab/rexgen_direct
Template-free prediction of organic reaction outcomes
wzhanglab/screenshots
Simple Screenshots as a Service (Django, Selenium)