Mechanistic Modelling of Primaquine Pharmacokinetics, Gametocytocidal Activity, and Mosquito Infectivity

2021 ◽  
Author(s):  
Palang Chotsiri ◽  
Almahamoudou Mahamar ◽  
Richard M. Hoglund ◽  
Fanta Koita ◽  
Koualy Sanogo ◽  
...  
Keyword(s):  
Mechanistic Modelling ◽  
Gametocytocidal Activity

scholarly journals Machine learning meets mechanistic modelling for accurate prediction of experimental activation energies

2021 ◽  
Author(s):  
Kjell Jorner ◽  
Tore Brinck ◽  
Per-Ola Norrby ◽  
David Buttar
Keyword(s):  
Machine Learning ◽  
Activation Energies ◽  
Accurate Prediction ◽  
Nucleophilic Aromatic Substitution ◽  
Aromatic Substitution ◽  
Mechanistic Modelling

Hybrid reactivity models, combining mechanistic calculations and machine learning with descriptors, are used to predict barriers for nucleophilic aromatic substitution.

scholarly journals Time series analysis and mechanistic modelling of heterogeneity and sero-reversion in antibody responses to mild SARS‑CoV-2 infection

EBioMedicine ◽  
2021 ◽  
Vol 65 ◽  
pp. 103259
Author(s):  
Charlotte Manisty ◽  
Thomas Alexander Treibel ◽  
Melanie Jensen ◽  
Amanda Semper ◽  
George Joy ◽  
...  
Keyword(s):  
Time Series ◽  
Time Series Analysis ◽  
Antibody Responses ◽  
Mechanistic Modelling ◽  
Series Analysis

scholarly journals From Black Box to Machine Learning: A Journey through Membrane Process Modelling

Membranes ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 574
Author(s):  
Claudia F. Galinha ◽  
João G. Crespo
Keyword(s):  
Machine Learning ◽  
Process Modelling ◽  
Model Membrane ◽  
Point Of View ◽  
Personal Perspective ◽  
Process Conditions ◽  
Monitoring And Control ◽  
Membrane Processes ◽  
Mechanistic Modelling ◽  
Process Monitoring And Control

Membrane processes are complex systems, often comprising several physicochemical phenomena, as well as biological reactions, depending on the systems studied. Therefore, process modelling is a requirement to simulate (and predict) process and membrane performance, to infer about optimal process conditions, to assess fouling development, and ultimately, for process monitoring and control. Despite the actual dissemination of terms such as Machine Learning, the use of such computational tools to model membrane processes was regarded by many in the past as not useful from a scientific point-of-view, not contributing to the understanding of the phenomena involved. Despite the controversy, in the last 25 years, data driven, non-mechanistic modelling is being applied to describe different membrane processes and in the development of new modelling and monitoring approaches. Thus, this work aims at providing a personal perspective of the use of non-mechanistic modelling in membrane processes, reviewing the evolution supported in our own experience, gained as research group working in the field of membrane processes. Additionally, some guidelines are provided for the application of advanced mathematical tools to model membrane processes.

scholarly journals Mechanistic Modelling of DNA Repair and Cellular Survival Following Radiation-Induced DNA Damage

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Stephen J. McMahon ◽  
Jan Schuemann ◽  
Harald Paganetti ◽  
Kevin M. Prise
Keyword(s):  
Dna Damage ◽  
Dna Repair ◽  
Mechanistic Modelling ◽  
Cellular Survival ◽  
Radiation Induced

scholarly journals Assessment of oil refinery wastewater and effluent integrating bioassays, mechanistic modelling and bioavailability evaluation

Chemosphere ◽  
2021 ◽  
pp. 132146
Author(s):  
G.F. Whale ◽  
M. Hjort ◽  
C. Di Paolo ◽  
A.D. Redman ◽  
J.F. Postma ◽  
...  
Keyword(s):  
Oil Refinery ◽  
Refinery Wastewater ◽  
Mechanistic Modelling ◽  
Oil Refinery Wastewater

Mechanistic modelling of kinetics and mass transfer for a solid–liquid system: Leaching of zinc with ferric iron

2010 ◽  
Vol 65 (15) ◽  
pp. 4460-4471 ◽  
Author(s):  
Tapio Salmi ◽  
Henrik Grénman ◽  
Heidi Bernas ◽  
Johan Wärnå ◽  
Dmitry Yu. Murzin
Keyword(s):  
Mass Transfer ◽  
Ferric Iron ◽  
Liquid System ◽  
Mechanistic Modelling ◽  
Solid Liquid

Mechanistic modelling of a cathode-supported tubular solid oxide fuel cell

2006 ◽  
Vol 154 (1) ◽  
pp. 74-85 ◽  
Author(s):  
R. Suwanwarangkul ◽  
E. Croiset ◽  
M.D. Pritzker ◽  
M.W. Fowler ◽  
P.L. Douglas ◽  
...  
Keyword(s):  
Fuel Cell ◽  
Solid Oxide Fuel Cell ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Mechanistic Modelling

Changes in allometric relations of mangrove trees due to resource availability – A new mechanistic modelling approach

2014 ◽  
Vol 283 ◽  
pp. 53-61 ◽  
Author(s):  
Ronny Peters ◽  
Alejandra G. Vovides ◽  
Soledad Luna ◽  
Uwe Grüters ◽  
Uta Berger
Keyword(s):  
Resource Availability ◽  
Mechanistic Modelling ◽  
Allometric Relations ◽  
Mangrove Trees ◽  
Modelling Approach
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