List of works - Domenico Gadaleta

A k-NN algorithm for predicting the oral sub-chronic toxicity in the rat.

scientific article published on 10 July 2014

A knowledge-based expert rule system for predicting mutagenicity (Ames test) of aromatic amines and azo compounds

scientific article published on 16 September 2016

A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications

scientific article published on 10 December 2018

A rational approach to elucidate human monoamine oxidase molecular selectivity

scientific article published on 7 February 2017

Adverse outcome pathways: opportunities, limitations and open questions

scientific article published on 19 October 2017

An alternative QSAR-based approach for predicting the bioconcentration factor for regulatory purposes

scientific article published on 13 November 2013

Automated Integration of Structural, Biological and Metabolic Similarities to Sustain Read-Across

scientific article published on 09 May 2020

CATMoS: Collaborative Acute Toxicity Modeling Suite

scientific article published in April 2021

CORAL: model for no observed adverse effect level (NOAEL).

scientific article published on 8 April 2015

Correction to: A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications

scholarly article published in Journal of Cheminformatics

Criteria and Application on the Use of Nontesting Methods within a Weight of Evidence Strategy

scientific article published on 01 January 2018

Ecotoxicological QSAR modeling of the acute toxicity of organic compounds to the freshwater crustacean Thamnocephalus platyurus

Evaluation and comparison of benchmark QSAR models to predict a relevant REACH endpoint: The bioconcentration factor (BCF).

scientific article published on 21 January 2015

Fine molecular tuning at position 4 of 2H-chromen-2-one derivatives in the search of potent and selective monoamine oxidase B inhibitors.

scientific article published on 17 October 2013

Identification of structural alerts for liver and kidney toxicity using repeated dose toxicity data

scientific article published on 5 November 2015

In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors.

scientific article published on 13 October 2014

Integrated in silico models for the prediction of No-Observed-(Adverse)-Effect-Levels and Lowest-Observed-(Adverse)-Effect-Levels in rats for sub-chronic repeated dose toxicity

scientific article published on 15 July 2020

Integrating computational methods to predict mutagenicity of aromatic azo compounds

scientific article published on 13 October 2017

Integration of QSAR models for bioconcentration suitable for REACH.

scientific article published on 24 April 2013

Methodology of aiQSAR: a group-specific approach to QSAR modelling

Mind the Gap! A Journey towards Computational Toxicology

scientific article published on 13 April 2016

New in silico models to predict in vitro micronucleus induction as marker of genotoxicity

scientific article published on 08 November 2019

Novel chemotypes targeting tubulin at the colchicine binding site and unbiasing P-glycoprotein

scientific article published on 21 July 2017

QSAR Development for Plasma Protein Binding: Influence of the Ionization State

scientific article published on 27 December 2018

QSAR Modeling of ToxCast Assays Relevant to the Molecular Initiating Events of AOPs Leading to Hepatic Steatosis

scientific article published on 26 July 2018

QSAR Models for Human Carcinogenicity: An Assessment Based on Oral and Inhalation Slope Factors

scientific article published on 29 December 2020

REACH and in silico methods: an attractive opportunity for medicinal chemists

scientific article

SAR and QSAR modeling of a large collection of LD rat acute oral toxicity data

scientific article published on 30 August 2019

Structure-Based Design and Optimization of Multitarget-Directed 2H-Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases.