Domenico Gadaleta

发表

Integration of QSAR models for bioconcentration suitable for REACH.

Emilio Benfenati, Anna Lombardo, Angelo Carotti, 2013, The Science of the total environment.

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

Emilio Benfenati, Alessandra Roncaglioni, Domenico Gadaleta, 2020, ALTEX.

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

Emilio Benfenati, Cosimo Toma, Domenico Gadaleta, 2018, Journal of Cheminformatics.

A K-nn Algorithm for Predicting the Oral Sub- Chronic Toxicity in the Rat

Emilio Benfenati, Angelo Carotti, Anna Lombardo, 2022 .

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

Emilio Benfenati, Cosimo Toma, Domenico Gadaleta, 2019, Journal of Cheminformatics.

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

Emilio Benfenati, Angelo Carotti, Matteo Floris, 2014, ALTEX.

Mind the Gap! A Journey towards Computational Toxicology

Angelo Carotti, Saverio Cellamare, Daniela Trisciuzzi, 2016, Molecular informatics.

Developing innovative in silico models with EFSA's OpenFoodTox database

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2017 .

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

Emilio Benfenati, Enrico Mombelli, Serena Manganelli, 2018, J. Chem. Inf. Model..

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

Domenico Gadaleta, 2014 .

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

Emilio Benfenati, Domenico Gadaleta, Kristijan Vukovic, 2019, Journal of Cheminformatics.

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

Emilio Benfenati, Anna Lombardo, Domenico Gadaleta, 2018, Methods in molecular biology.

SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data

Emilio Benfenati, Giovanna J. Lavado, Alessandra Roncaglioni, 2019, Journal of Cheminformatics.

Development and validation of computational models for predicting oxidative stress responses using comprehensive series of drug-like compounds

Ulf Norinder, Serena Manganelli, Alessandra Roncaglioni, 2018 .

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

Emilio Benfenati, Angelo Carotti, Ettore Novellino, 2014, Drug discovery today.

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

Emilio Benfenati, Anna Lombardo, Alessandra Roncaglioni, 2015, Environmental research.

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

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2015, Molecular Diversity.

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

Angelo Carotti, Orazio Nicolotti, Domenico Gadaleta, 2015, European journal of medicinal chemistry.

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

Emilio Benfenati, Anna Lombardo, Orazio Nicolotti, 2015, Chemistry Central Journal.

Integrating computational methods to predict mutagenicity of aromatic azo compounds

Emilio Benfenati, Alberto Manganaro, Serena Manganelli, 2017, Journal of environmental science and health. Part C, Environmental carcinogenesis & ecotoxicology reviews.