Recent Advances in Chemometrics, QSAR/QSPR, and Analytical Chemistry Applied to Flavor Compounds and Odorants Study
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Analytical Chemistry".
Deadline for manuscript submissions: closed (29 February 2024) | Viewed by 1369
Special Issue Editor
Special Issue Information
Dear Colleagues,
The understanding of the perception of odors, fragrances, and flavors is a challenging issue that requires both reliable experimental data acquisition from multiple sources and the gathering, analyzing, and harnessing of these.
In the odorants and flavor compounds area, the experimental data can be obtained through the use of several tools, such as chromatographic and spectroscopic methods, and sensory evaluations. These data relate to a number of physicochemical properties, such as the retention–release equilibrium and the kinetics release of compounds from liquid or solid media, and also involves olfactory perception aspects, including olfactory thresholds, odor quality, and intensity measurements. In so far as such experimental properties are quantifiable or encodable, their study can be performed using chemometric methods.
Briefly, chemometrics can be defined as an explorative data analysis discipline that includes experimental design, statistical and multivariate analyses, artificial intelligence (neural networks, learning, and genetic algorithms), and can be additionally applied to the quantitative structure–activity/property relationships studies (QSAR/QSPR) using computational chemistry methods. Because the gathering of a vast amount of data involves the buildup of large databases, data curation, and data mining are complementary to chemometric approaches.
The current Special Issue aims to gather articles related to the application, development, and improvement of chemometric and analytical methods, embracing (Q)SAR/(Q)SPR and computational chemistry approaches. Original research papers as well review articles involving the application of above methods to the study of odors, odorants, fragrances and flavors are welcome.
Dr. Anne Tromelin
Guest Editor
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
Keywords
- flavor compounds
- odor
- odorants
- olfactory threshold
- databases
- data mining
- QSAR
- QSPR
- statistical analysis
- multivariate analysis
- classification
- clustering
- learning algorithms
