Development of a data-driven scientific methodology: From articles to chemometric data products

Meta-analysis of vaterite secondary data revealed the synthesis conditions for polymorphic control

“…Additionally, setting the oven drying temperature higher than 25 °C (median was 50 °C) would also aid the production of this anhydrous polymorph. This conclusion was included in the summary of results we provided in a previously published work [4].…”

“…This work is the third article of a larger study. The reader is encouraged to start with the main publication titled "Development of a Data-Driven Scientific Methodology: From Articles to Chemometric Data Products" [4]. In that paper, a statistical mixed methodology called data-driven scientific methodology (DDSM) was developed and all the stages described in detail.…”

“…By comparison, the present work provides the technical details necessary to understand and reproduce the work. A summary of the main findings was included in our previous publication [4]. We have omitted a statement of the main points here to avoid an overlap between both research articles.…”

“…The process is depicted in Figure 1. The word "Meta" indicates that the secondary data was taken from published manuscripts through a systematic literature review, and therefore uses all the relevant literature available on a subject [4]. A bibliometric technique was developed for screening thousands of papers, and identify publications likely to contain optimal experiments of vaterite.…”

GC–MS‐based metabolomics elucidates the impact of cereal‐based microbial starters on the metabolite profile of mahewu prepared from yellow maize

“…Chemometric methods are thus used to investigate such information‐rich data. Examples of such techniques include supervised techniques such as OPLS‐DA, and unsupervised techniques like PCA (Carballo‐Meilan et al ., 2022). Both techniques have been used in previous food metabolomics investigations (Adebo et al ., 2019; Cui et al ., 2022; Li et al ., 2022; Rivera‐Pérez et al ., 2022), as they give a summary of the dataset, highlighting treatment‐related trends, and indicating the metabolites that primarily contribute to differences in treatments, sample sources and other experimental variations.…”