EaMEAD: Activation Energy Prediction of Cytochrome P450 Mediated Metabolism with Effective Atomic Descriptors

2009 ◽  
Vol 49 (7) ◽  
pp. 1643-1654 ◽  
Author(s):  
Doo Nam Kim ◽  
Kwang-Hwi Cho ◽  
Won Seok Oh ◽  
Chang Joon Lee ◽  
Sung Kwang Lee ◽  
...  
Keyword(s):  
Activation Energy ◽  
Cytochrome P450 ◽  
Energy Prediction ◽  
Atomic Descriptors

Activation energy prediction of biomass wastes based on different neural network topologies

Fuel ◽  
2018 ◽  
Vol 220 ◽  
pp. 535-545 ◽  
Author(s):  
Özge Çepelioğullar ◽  
İlhan Mutlu ◽  
Serdar Yaman ◽  
Hanzade Haykiri-Acma
Keyword(s):  
Neural Network ◽  
Activation Energy ◽  
Energy Prediction ◽  
Network Topologies

Feasibility of Activation Energy Prediction of Gas-Phase Reactions by Machine Learning

2018 ◽  
Vol 24 (47) ◽  
pp. 12354-12358 ◽  
Author(s):  
Sunghwan Choi ◽  
Yeonjoon Kim ◽  
Jin Woo Kim ◽  
Zeehyo Kim ◽  
Woo Youn Kim
Keyword(s):  
Machine Learning ◽  
Activation Energy ◽  
Gas Phase ◽  
Gas Phase Reactions ◽  
Energy Prediction

Use of Interfacial Charge for Diagnosis and Activation Energy Prediction of Oil-Paper Insulation Used in Power Transformer

2019 ◽  
Vol 34 (4) ◽  
pp. 1332-1340 ◽  
Author(s):  
Deepak Mishra ◽  
Saurabh Dutta ◽  
Arijit Baral ◽  
Nasirul Haque ◽  
Sivaji Chakravorti
Keyword(s):  
Activation Energy ◽  
Power Transformer ◽  
Energy Prediction ◽  
Paper Insulation ◽  
Interfacial Charge

scholarly journals Novel Electrotopological Atomic Descriptors for the Prediction of Xenobiotic Cytochrome P450 Reactions

2019 ◽  
Vol 38 (10) ◽  
pp. 1900010 ◽  
Author(s):  
Kazuma Kaitoh ◽  
Masaaki Kotera ◽  
Kimito Funatsu
Keyword(s):  
Cytochrome P450 ◽  
Atomic Descriptors

Molecular evolution of a cytochrome P450 for the synthesis of potential antidepressant (2R,6R)-hydroxynorketamine

2021 ◽  
Author(s):  
Ansgar Bokel ◽  
Michael C. Hutter ◽  
Vlada B. Urlacher
Keyword(s):  
Cytochrome P450 ◽  
Molecular Evolution ◽  
Cytochrome P450 Monooxygenase ◽  
P450 Monooxygenase ◽  
Effective Synthesis

Engineered cytochrome P450 monooxygenase CYP154E1 enables the effective synthesis of the potential antidepressant (2R,6R)-hydroxynorketamine via N-demethylation and regio- and stereoselective hydroxylation of (R)-ketamine.

Comparison of mechanism-based inhibition of human cytochrome P450 2C19 by ticlopidine, clopidogrel, and prasugrel

Xenobiotica ◽  
2009 ◽  
Vol 00 (00) ◽  
pp. 090901052457079-8
Author(s):  
Y. Nishiya ◽  
K. Hagihara ◽  
A. Kurihara ◽  
N. Okudaira ◽  
N.A. Farid ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
Human Cytochrome ◽  
Cytochrome P450 2C19

Deactivation of anti-cancer drug letrozole to a carbinol metabolite by polymorphic cytochrome P450 2A6 in human liver microsomes

Xenobiotica ◽  
2009 ◽  
Vol 00 (00) ◽  
pp. 090901052053001-8
Author(s):  
K. Murai ◽  
H. Yamazaki ◽  
K. Nakagawa ◽  
R. Kawai ◽  
T. Kamataki
Keyword(s):  
Cytochrome P450 ◽  
Human Liver ◽  
Liver Microsomes ◽  
Human Liver Microsomes ◽  
Cancer Drug ◽  
Anti Cancer ◽  
Cytochrome P450 2A6

Selegiline Metabolism and Cytochrome P450 Enzymes:In vitro Study in Human Liver Microsomes*

2000 ◽  
Vol 86 (5) ◽  
pp. 215-221 ◽  
Author(s):  
Paivi Taavitsainen ◽  
Markku Anttila ◽  
Leena Nyman ◽  
Hari Karnani ◽  
Jarmo S. Salonen ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
Human Liver ◽  
Liver Microsomes ◽  
Human Liver Microsomes ◽  
Vitro Study
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