Domenico Gadaleta
Domenico Gadaleta
Researcher, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milan
Bekræftet mail på marionegri.it
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Adverse outcome pathways: opportunities, limitations and open questions
M Leist, A Ghallab, R Graepel, R Marchan, R Hassan, SH Bennekou, ...
Archives of Toxicology, 1-29, 2017
2152017
Applicability Domain for QSAR Models: Where Theory Meets Reality
D Gadaleta, GF Mangiatordi, M Catto, A Carotti, O Nicolotti
International Journal of Quantitative Structure-Property Relationships …, 2016
1742016
Structure-Based Design and Optimization of Multitarget-Directed 2H-Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases
R Farina, L Pisani, M Catto, O Nicolotti, D Gadaleta, N Denora, ...
Journal of medicinal chemistry 58 (14), 5561-5578, 2015
762015
REACH and in silico methods: an attractive opportunity for medicinal chemists
O Nicolotti, E Benfenati, A Carotti, D Gadaleta, A Gissi, GF Mangiatordi, ...
Drug Discovery Today 19 (11), 1757-1768, 2014
572014
In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors
L Pisani, R Farina, O Nicolotti, D Gadaleta, R Soto-Otero, M Catto, ...
European journal of medicinal chemistry 89, 98-105, 2015
452015
An alternative QSAR-based approach for predicting the bioconcentration factor for regulatory purposes
A Gissi, D Gadaleta, M Floris, S Olla, A Carotti, E Novellino, E Benfenati, ...
ALTEX-Alternatives to animal experimentation 31 (1), 23-36, 2014
442014
A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications
D Gadaleta, A Lombardo, C Toma, E Benfenati
Journal of cheminformatics 10 (1), 1-13, 2018
372018
QSAR modeling of ToxCast assays relevant to the molecular initiating events of AOPs leading to hepatic steatosis
D Gadaleta, S Manganelli, A Roncaglioni, C Toma, E Benfenati, ...
Journal of chemical information and modeling 58 (8), 1501-1517, 2018
362018
Fine molecular tuning at position 4 of 2H-chromen-2-one derivatives in the search of potent and selective monoamine oxidase B inhibitors
L Pisani, M Catto, O Nicolotti, G Grossi, M Di Braccio, R Soto-Otero, ...
European journal of medicinal chemistry 70, 723-739, 2013
362013
Evaluation and comparison of benchmark QSAR models to predict a relevant REACH endpoint: the bioconcentration factor (BCF)
A Gissi, A Lombardo, A Roncaglioni, D Gadaleta, GF Mangiatordi, ...
Environmental research 137, 398-409, 2015
342015
Novel chemotypes targeting tubulin at the colchicine binding site and unbiasing P-glycoprotein
GF Mangiatordi, D Trisciuzzi, D Alberga, N Denora, RM Iacobazzi, ...
European journal of medicinal chemistry 139, 792-803, 2017
302017
SAR and QSAR modeling of a large collection of LD 50 rat acute oral toxicity data
D Gadaleta, K Vuković, C Toma, GJ Lavado, AL Karmaus, K Mansouri, ...
Journal of cheminformatics 11 (1), 1-16, 2019
292019
A knowledge-based expert rule system for predicting mutagenicity (Ames test) of aromatic amines and azo compounds
D Gadaleta, S Manganelli, A Manganaro, N Porta, E Benfenati
Toxicology 370, 20-30, 2016
282016
A rational approach to elucidate human monoamine oxidase molecular selectivity
GF Mangiatordi, D Alberga, L Pisani, D Gadaleta, D Trisciuzzi, R Farina, ...
European Journal of Pharmaceutical Sciences 101, 90-99, 2017
272017
Integration of QSAR models for bioconcentration suitable for REACH
A Gissi, O Nicolotti, A Carotti, D Gadaleta, A Lombardo, E Benfenati
Science of the total environment 456, 325-332, 2013
262013
Identification of structural alerts for liver and kidney toxicity using repeated dose toxicity data
F Pizzo, D Gadaleta, A Lombardo, O Nicolotti, E Benfenati
Chemistry Central Journal 9 (1), 1-11, 2015
242015
CORAL: model for no observed adverse effect level (NOAEL)
AA Toropov, AP Toropova, F Pizzo, A Lombardo, D Gadaleta, E Benfenati
Molecular diversity 19 (3), 563-575, 2015
192015
Applicability domain for QSAR models: where theory meets reality
O Nicolotti, D Gadaleta, GF Mangiatordi, M Catto, A Carotti
Int. J. Quant. Struct-Prop. Relatsh 1, 45-63, 2016
182016
A k-NN algorithm for predicting oral sub-chronic toxicity in the rat
D Gadaleta, F Pizzo, A Lombardo, A Carotti, SE Escher, O Nicolotti, ...
ALTEX-Alternatives to animal experimentation 31 (4), 423-432, 2014
162014
Mind the gap! A journey towards computational toxicology
GF Mangiatordi, D Alberga, CD Altomare, A Carotti, M Catto, S Cellamare, ...
Molecular informatics 35 (8-9), 294-308, 2016
142016
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