AIMC Topic: Imines
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Artificial intelligence-based identification of octenidine as a Bcl-xL inhibitor.
Biochemical and biophysical research communications
Dec 20, 2021
Apoptosis plays an essential role in maintaining cellular homeostasis and preventing cancer progression. Bcl-xL, an anti-apoptotic protein, is an important modulator of the mitochondrial apoptosis pathway and is a promising target for anticancer ther...
Accelerated Reactivity Mechanism and Interpretable Machine Learning Model of -Sulfonylimines toward Fast Multicomponent Reactions.
Organic letters
Oct 19, 2020
We introduce chemical reactivity flowcharts to help chemists interpret reaction outcomes using statistically robust machine learning models trained on a small number of reactions. We developed fast sulfonylimine multicomponent reactions for understan...
Cautionary Guidelines for Machine Learning Studies with Combinatorial Datasets.
ACS combinatorial science
Oct 1, 2020
Regression modeling is becoming increasingly prevalent in organic chemistry as a tool for reaction outcome prediction and mechanistic interrogation. Frequently, to acquire the requisite amount of data for such studies, researchers employ combinatoria...
A novel N,N'-bis(acetylacetone)ethylenediimine functionalized silica-core shell magnetic nanosorbent for manetic dispersive solid phase extraction of copper in cereal and water samples.
Food chemistry
Dec 27, 2017
Determination of heavy metals at trace levels has a great deal of importance due to their undesirable effects on human life. In this study, N,N'-bis (acetyl acetone) ethylenediimine (FeO@SiO-EDN) was synthesized and applied for dispersive solid phase...
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