Execution times and results of instances of an FPMAS epidemiological model
This dataset contains fpmas-virus (https://github.com/FPMAS/fpmas-virus) execution times and model results obtained with the FPMAS platform (https://github.com/FPMAS/) in the context of the Paul Breugnot's Ph.D. thesis (Distribution and synchronisation of Multi-Agent System simulations).
Detailed execution times of several FPMAS Meta-model instances
This dataset contains detailed fpmas-metamodel (https://github.com/FPMAS/fpmas-metamodel) execution time data obtained with the FPMAS platform (https://github.com/FPMAS/) in the context of Paul Breugnot's PhD thesis (Distribution and synchronisation of Multi-Agent Systems simulations), that proposes ...
New spiropyrrolothiazole derivatives bearing an oxazolone moiety as potential antidiabetic agent: Design, synthesis, crystal structure, Hirshfeld surface analysis, ADME and molecular docking studies
In a sustained search for novel and effective antihyperglycemics, a new series of fifteen isomeric oxazolone-fused dispiropyrrolothiazoles resulting from one-pot three component reaction between L-4-thiazolidine carboxylic acid, arylidene-oxazolones and isatin (or acenaphthenequinone) has been ...
Antimicrobial Activity and DFT Studies of a Novel Set of Spiropyrrolidines Tethered with Thiochroman-4-one/Chroman-4-one Scaffolds
A novel series of 14 spiropyrrolidines bearing thiochroman-4-one/chroman-4-one, and oxindole/acenaphthylene-1,2-dione moieties were synthesized and characterized by spectroscopic techniques, as well as by three X-ray diffraction studies, corroborating the stereochemistry. Quantum chemical ...
Googlomics: Inferring hidden causal relations between pathway members using reduced Google matrix of directed biological networks
Signaling pathways represent parts of the global biological network which connects them into a seamless whole through complex direct and indirect (hidden) crosstalk whose structure can change during normal development or in a pathological conditions such as cancer. Advanced methods for ...
Van't Hoff law for temperature dependent Langmuir constants in clathrate hydrate nanocavities.
This work gives a set of parameters of van't Hoff law expression for calculating Langmuir constants of different gas species to determine their occupancy in clathrate hydrates in a temperature range 50 – 300 K. The van't Hoff law's parameters are derived from potential energy calculations using a ...
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