Publications

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Results: 7

JesusVicente de Julián-Ortiz, Emili Besalú
Application of SSIR Method for the Design of Fungicides
Applied Sciences, 2023, 13, 1122-
DOI: 10.3390/app13021122
Keywords: Computational chemistry, Method development, Predictive Chemistry

JesúsAntonio Luque-Urrutia, Thalía Ortiz-García, Miquel Solà, Albert Poater
Green Energy by Hydrogen Production from Water Splitting, Water Oxidation Catalysis and Acceptorless Dehydrogenative Coupling
Inorganics, 2023, 11, 88-
DOI: 10.3390/inorganics11020088
Keywords: Catalysis, Organometallics, Predictive Chemistry, Reaction mechanisms, Sustainable Catalysis

Emili Besalú, Riccardo Zanni, Lionello Pogliani, Jesus Vicente de Julian-Ortiz
Checking the Efficacy of Two Basic Descriptors With a Set of Properties of Alkanes
IJQSPR, 2019, 4, 67-87
DOI: 10.4018/IJQSPR.2019010105
Keywords: Computational chemistry, Molecular similarity, Predictive Chemistry, Supramolecular chemistry

Jesus de Julián-Ortiz, Lionello Pogliani, Emili Besalú
Modeling Properties with Artificial Neural Networks and Multilinear Least-Squares Regression: Advantages and Drawbacks of the Two Methods
Applied Sciences, 2018, 8, 1094-
DOI: 10.3390/app8071094
Keywords: Computational chemistry, Molecular similarity, Predictive Chemistry

Jesus De Julián-Ortiz, Begoña Verdejo, Víctor Polo, Emili Besalú, Enrique García-España
Molecular Rearrangement of an Aza-Scorpiand Macrocycle Induced by pH: A Computational Study
IJMS, 2016, 17, 1131-
DOI: 10.3390/ijms17071131
Keywords: Predictive Chemistry

J. Julian-Ortiz, Emili Besalú, Lionello Pogliani
A Probabilistic Analysis About the Concepts of Difficulty and Usefulness of a Molecular Ranking Classification
CAD, 2014, 10, 107-114
DOI: 10.2174/1573409910666140410101126
Keywords: Predictive Chemistry

Emili Besalú, Robert Ponec, Jesus Vicente de Julián-Ortiz
Virtual generation of agents against Mycobacterium tuberculosis. A QSAR study
Mol Divers, 2000, 6, 107-120
DOI: 10.1023/B:MODI.0000006839.52374.d7
Keywords: Predictive Chemistry