Lista de obras -

A QSAR study of HIV protease inhibitors using theoretical descriptors.

artículo científico publicado en 2010

A mechanistic study of 3-aminoindazole cyclic urea HIV-1 protease inhibitors using comparative QSAR.

artículo científico publicado en 2004

A sphingosine 1-phosphate receptor 2 selective allosteric agonist.

artículo científico publicado en 2013

Acute Toxicity Prediction in Multiple Species by Leveraging Mechanistic ToxCast Mitochondrial Inhibition Data and Simulation of Oral Bioavailability.

artículo científico publicado en 2015

Allosteric inhibition of the IRE1α RNase preserves cell viability and function during endoplasmic reticulum stress.

artículo científico publicado en 2014

Alternative approaches for identifying acute systemic toxicity: Moving from research to regulatory testing.

artículo científico publicado en 2017

Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl-Pyranones.

artículo científico publicado en 2010

CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals

artículo científico publicado en 2011

Divergent allosteric control of the IRE1α endoribonuclease using kinase inhibitors

artículo científico publicado en 2012

Evaluation of OASIS QSAR Models Using ToxCast™ in Vitro Estrogen and Androgen Receptor Binding Data and Application in an Integrated Endocrine Screening Approach.

artículo científico publicado en 2016

Evaluation of TOPKAT, Toxtree, and Derek Nexus in Silico Models for Ocular Irritation and Development of a Knowledge-Based Framework To Improve the Prediction of Severe Irritation.

artículo científico publicado en 2016

From SAR to comparative QSAR: role of hydrophobicity in the design of 4-hydroxy-5,6-dihydropyran-2-ones HIV-1 protease inhibitors

artículo científico publicado en 2005

Novel selective allosteric and bitopic ligands for the S1P(3) receptor.

artículo científico publicado en 2012

Opportunities and challenges using artificial intelligence in ADME/Tox

scientific article published on 01 May 2019

Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse.

artículo científico publicado en 2010

Possible allosteric interactions of monoindazole-substituted P2 cyclic urea analogues with wild-type and mutant HIV-1 protease.

artículo científico publicado en 2008

Prediction of Aqueous Solubility, Vapor Pressure and Critical Micelle Concentration for Aquatic Partitioning of Perfluorinated Chemicals

article

The QSPR-THESAURUS: the online platform of the CADASTER project

artículo científico publicado en 2014

The activities of drug inactive ingredients on biological targets

artículo científico publicado en 2020

Lista de obras de

A QSAR study of HIV protease inhibitors using theoretical descriptors.

A mechanistic study of 3-aminoindazole cyclic urea HIV-1 protease inhibitors using comparative QSAR.

A sphingosine 1-phosphate receptor 2 selective allosteric agonist.

Acute Toxicity Prediction in Multiple Species by Leveraging Mechanistic ToxCast Mitochondrial Inhibition Data and Simulation of Oral Bioavailability.

Allosteric inhibition of the IRE1α RNase preserves cell viability and function during endoplasmic reticulum stress.

Alternative approaches for identifying acute systemic toxicity: Moving from research to regulatory testing.

Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl-Pyranones.

CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals

Divergent allosteric control of the IRE1α endoribonuclease using kinase inhibitors

Evaluation of OASIS QSAR Models Using ToxCast™ in Vitro Estrogen and Androgen Receptor Binding Data and Application in an Integrated Endocrine Screening Approach.

Evaluation of TOPKAT, Toxtree, and Derek Nexus in Silico Models for Ocular Irritation and Development of a Knowledge-Based Framework To Improve the Prediction of Severe Irritation.

From SAR to comparative QSAR: role of hydrophobicity in the design of 4-hydroxy-5,6-dihydropyran-2-ones HIV-1 protease inhibitors

Novel selective allosteric and bitopic ligands for the S1P(3) receptor.

Opportunities and challenges using artificial intelligence in ADME/Tox

Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse.

Possible allosteric interactions of monoindazole-substituted P2 cyclic urea analogues with wild-type and mutant HIV-1 protease.

Prediction of Aqueous Solubility, Vapor Pressure and Critical Micelle Concentration for Aquatic Partitioning of Perfluorinated Chemicals

The QSPR-THESAURUS: the online platform of the CADASTER project

The activities of drug inactive ingredients on biological targets