Karel Diéguez-Santana

TL;DR: In this paper , the authors explored current productive uses of digestate by analyzing its feedstocks, processing technologies, economics, product quality, impurities, incentive policies, and regulations, and found that feedstock, processing technology, and process operating conditions highly influence the digestate product characteristics.

TL;DR: A median-size database of nearly 8000 phenolic compounds extracted from ChEMBL was evaluated with the quantitative-structure toxicity relationship (QSTR) model developed providing some clues (SARs) for identification of ecotoxicological compounds.

TL;DR: This study illustrates the power of ML-based QSAR approaches for the screening and discovery of potent, isoform-selective HDACIs.

TL;DR: In this article, a CPTML linear model obtained using the LDA algorithm is able to discriminate nodes (metabolites) with the correct assignation of reactions from incorrect nodes with values of accuracy, specificity, and sensitivity in the range of 85-100% in both training and external validation data series.