Background The development of statistical software has enabled food scientists to perform a
wide variety of mathematical/statistical analyses and solve problems. Therefore, not only …

The review is mainly focused on application of thin layer chromatography (TLC) as simple,
rapid and inexpensive method for lipophilicity assessment. Among separation techniques …

Machine learning classification algorithms are widely used for the prediction and
classification of the different properties of molecules such as toxicity or biological activity …

The free fatty acid (FFA) is an essential indicator to determine the discard point of frying oils,
however, the current detection method of FFA in oil is laborious. This research established …

Background Interaction fingerprints (IFP) have been repeatedly shown to be valuable tools
in virtual screening to identify novel hit compounds that can subsequently be optimized to …

Quantification of the similarity of objects is a key concept in many areas of computational
science. This includes cheminformatics, where molecular similarity is usually quantified …

QSAR/QSPR (quantitative structure‐activity/property relationship) modeling has been a
prevalent approach in various, overlapping sub‐fields of computational, medicinal and …

Lipophilicity of the compounds is useful to (i) explain their distribution in biological systems,
which is different in plant and in animal organisms,(ii) predict the possible pathways of …

The physicochemical properties of small molecules that can be determined by retention
measurements in reversed-phase liquid chromatography include solvent-based properties …

Antibiotic resistance has become a serious global threat to public health; therefore,
improved strategies and structurally novel antimicrobials are urgently needed to combat …