K
Karel Diéguez-Santana
Researcher at University of the Basque Country
Publications - 27
Citations - 190
Karel Diéguez-Santana is an academic researcher from University of the Basque Country. The author has contributed to research in topics: Chemistry & Computer science. The author has an hindex of 5, co-authored 18 publications receiving 73 citations.
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Journal ArticleDOI
Anaerobic digestate management, environmental impacts, and techno-economic challenges.
Barbara Lamolinara,Amaury Pérez-Martínez,Estela Guardado-Yordi,Karel Diéguez-Santana,Gerardo J. Ruiz-Mercado +4 more
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.
Journal ArticleDOI
Prediction of acute toxicity of phenol derivatives using multiple linear regression approach for Tetrahymena pyriformis contaminant identification in a median-size database.
Karel Diéguez-Santana,Hai Pham-The,Pedro J. Villegas-Aguilar,Huong Le-Thi-Thu,Juan A. Castillo-Garit,Gerardo M. Casañola-Martin,Gerardo M. Casañola-Martin +6 more
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.
Journal ArticleDOI
Quantitative structure–activity relationship analysis and virtual screening studies for identifying HDAC2 inhibitors from known HDAC bioactive chemical libraries
Hai Pham-The,Gerardo M. Casañola-Martin,Karel Diéguez-Santana,Nam Nguyen-Hai,N T Ngoc,L Vu-Duc,Huong Le-Thi-Thu +6 more
TL;DR: This study illustrates the power of ML-based QSAR approaches for the screening and discovery of potent, isoform-selective HDACIs.
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A Life Cycle Assessment of Bread Production: A Cuban Case Study
Karel Diéguez-Santana,Yannay Cacas-Ledon,JulioA. Loureiro Salabarria,Amaury Pérez-Martínez,Luis E. Arteaga-Pérez +4 more
Journal ArticleDOI
Predicting Metabolic Reaction Networks with Perturbation-Theory Machine Learning (PTML) Models
Karel Diéguez-Santana,Gerardo M. Casañola-Martin,James R. Green,Bakhtiyor Rasulev,Humberto González-Díaz +4 more
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.