Constrained Bayesian optimization for automatic chemical design using variational autoencoders
Griffiths, Ryan-Rhys, Hernández-Lobato, José Miguel
Published in Chemical science (Cambridge) (14.01.2020)
Published in Chemical science (Cambridge) (14.01.2020)
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Journal Article
Determination of technological maturity of grapes and total phenolic compounds of grape skins in red and white cultivars during ripening by near infrared hyperspectral image: A preliminary approach
Nogales-Bueno, Julio, Hernández-Hierro, José Miguel, Rodríguez-Pulido, Francisco José, Heredia, Francisco José
Published in Food chemistry (01.06.2014)
Published in Food chemistry (01.06.2014)
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Journal Article
Data-Driven Insights into the Transition-Metal-Catalyzed Asymmetric Hydrogenation of Olefins
Singh, Sukriti, Hernández-Lobato, José Miguel
Published in Journal of organic chemistry (06.09.2024)
Published in Journal of organic chemistry (06.09.2024)
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Journal Article
Influence of climatic conditions on the phenolic composition of Vitis vinifera L. cv. Graciano
Ferrer-Gallego, Raúl, Hernández-Hierro, José Miguel, Rivas-Gonzalo, Julián C., Escribano-Bailón, M. Teresa
Published in Analytica chimica acta (30.06.2012)
Published in Analytica chimica acta (30.06.2012)
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Journal Article
Conference Proceeding
Feasibility Study on the Use of Visible–Near-Infrared Spectroscopy for the Screening of Individual and Total Glucosinolate Contents in Broccoli
Hernández-Hierro, José Miguel, Valverde, Juan, Villacreces, Salvador, Reilly, Kim, Gaffney, Michael, González-Miret, Maria Lourdes, Heredia, Francisco José, Downey, Gerard
Published in Journal of agricultural and food chemistry (01.08.2012)
Published in Journal of agricultural and food chemistry (01.08.2012)
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Journal Article
Colour and pigment composition of red wines obtained from co-maceration of Tempranillo and Graciano varieties
García-Marino, Matilde, Hernández-Hierro, José Miguel, Rivas-Gonzalo, Julián C., Escribano-Bailón, M. Teresa
Published in Analytica chimica acta (15.02.2010)
Published in Analytica chimica acta (15.02.2010)
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Journal Article
Conference Proceeding
DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design
García-Ortegón, Miguel, Simm, Gregor N. C., Tripp, Austin J., Hernández-Lobato, José Miguel, Bender, Andreas, Bacallado, Sergio
Published in Journal of chemical information and modeling (08.08.2022)
Published in Journal of chemical information and modeling (08.08.2022)
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Journal Article
Relationship between skin cell wall composition and anthocyanin extractability of Vitis vinifera L. cv. Tempranillo at different grape ripeness degree
Hernández-Hierro, José Miguel, Quijada-Morín, Natalia, Martínez-Lapuente, Leticia, Guadalupe, Zenaida, Ayestarán, Belén, Rivas-Gonzalo, Julián C., Escribano-Bailón, M. Teresa
Published in Food chemistry (01.03.2014)
Published in Food chemistry (01.03.2014)
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Journal Article
Interaction between Wine Phenolic Acids and Salivary Proteins by Saturation-Transfer Difference Nuclear Magnetic Resonance Spectroscopy (STD-NMR) and Molecular Dynamics Simulations
Ferrer-Gallego, Raúl, Hernández-Hierro, José Miguel, Brás, Natércia F, Vale, Nuno, Gomes, Paula, Mateus, Nuno, de Freitas, Victor, Heredia, Francisco J, Escribano-Bailón, María Teresa
Published in Journal of agricultural and food chemistry (09.08.2017)
Published in Journal of agricultural and food chemistry (09.08.2017)
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Journal Article
A novel method for evaluating flavanols in grape seeds by near infrared hyperspectral imaging
Rodríguez-Pulido, Francisco J., Hernández-Hierro, José Miguel, Nogales-Bueno, Julio, Gordillo, Belén, González-Miret, M. Lourdes, Heredia, Francisco J.
Published in Talanta (Oxford) (01.05.2014)
Published in Talanta (Oxford) (01.05.2014)
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Journal Article
Extractability of Low Molecular Mass Flavanols and Flavonols from Red Grape Skins. Relationship to Cell Wall Composition at Different Ripeness Stages
Quijada-Morín, Natalia, Hernández-Hierro, José Miguel, Rivas-Gonzalo, Julián C, Escribano-Bailón, M. Teresa
Published in Journal of agricultural and food chemistry (09.09.2015)
Published in Journal of agricultural and food chemistry (09.09.2015)
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Journal Article
Simplified Method for the Screening of Technological Maturity of Red Grape and Total Phenolic Compounds of Red Grape Skin: Application of the Characteristic Vector Method to Near-Infrared Spectra
Nogales-Bueno, Julio, Ayala, Fernando, Hernández-Hierro, José Miguel, Rodríguez-Pulido, Francisco José, Echávarri, José Federico, Heredia, Francisco José
Published in Journal of agricultural and food chemistry (06.05.2015)
Published in Journal of agricultural and food chemistry (06.05.2015)
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Journal Article
Influence of the physiological stage and the content of soluble solids on the anthocyanin extractability of Vitis vinifera L. cv. Tempranillo grapes
Hernández-Hierro, José Miguel, Quijada-Morín, Natalia, Rivas-Gonzalo, Julián C., Escribano-Bailón, M. Teresa
Published in Analytica chimica acta (30.06.2012)
Published in Analytica chimica acta (30.06.2012)
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Journal Article
Conference Proceeding
Feasibility Study on the Use of Near-Infrared Hyperspectral Imaging for the Screening of Anthocyanins in Intact Grapes during Ripening
Hernández-Hierro, José Miguel, Nogales-Bueno, Julio, Rodríguez-Pulido, Francisco José, Heredia, Francisco José
Published in Journal of agricultural and food chemistry (16.10.2013)
Published in Journal of agricultural and food chemistry (16.10.2013)
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Journal Article
Screening of anthocyanins in single red grapes using a non‐destructive method based on the near infrared hyperspectral technology and chemometrics
Martínez‐Sandoval, Jesús Raúl, Nogales‐Bueno, Julio, Rodríguez‐Pulido, Francisco José, Hernández‐Hierro, José Miguel, Segovia‐Quintero, Manuel Alberto, Martínez‐Rosas, Miguel Enrique, Heredia, Francisco José
Published in Journal of the science of food and agriculture (30.03.2016)
Published in Journal of the science of food and agriculture (30.03.2016)
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Journal Article
Differentiation of organic and non-organic ewe's cheeses using main mineral composition or near infrared spectroscopy coupled to chemometric tools: A comparative study
González-Martín, M. Inmaculada, Hernández-Hierro, José Miguel, Revilla, Isabel, Vivar-Quintana, Ana, González-Pérez, Claudio, García, Lorena Gómez, Riocerezo, Carlos Palacios, Ortega, Iris A. Lobos
Published in Talanta (Oxford) (30.09.2011)
Published in Talanta (Oxford) (30.09.2011)
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Journal Article
Comparative study on the use of three different near infrared spectroscopy recording methodologies for varietal discrimination of walnuts
Nogales-Bueno, Julio, Feliz, Luis, Baca-Bocanegra, Berta, Hernández-Hierro, José Miguel, Heredia, Francisco José, Barroso, João Manuel, Rato, Ana Elisa
Published in Talanta (Oxford) (01.01.2020)
Published in Talanta (Oxford) (01.01.2020)
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Journal Article