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1

QSPR modeling of enthalpies of formation for organometallic compounds by SMART-based optimal descriptors

Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Alberto Manganaro

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 77 KB

english, 2009

2

[Methods in Molecular Biology] In Silico Methods for Predicting Drug Toxicity Volume 1425 || Modeling ADMET

Benfenati, Emilio

Year:

2016

Language:

english

File:

PDF, 1.50 MB

english, 2016

3

SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations

Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 204 KB

english, 2010

4

Effect of butylated hydroxyanisole added in vitro or administered to rats on N,N-dibutylnitrosamine and N-butyl-N-(4-hydroxybutyl)nitrosamine metabolism by post-mitochondrial supernatant of liver homogenates

Roberta Pastorelli, Annalisa Ancidei, Emilio Benfenati, Roberto Fanelli, Luisa Airoldi

Journal:

Year:

1988

Language:

english

File:

PDF, 570 KB

english, 1988

5

CORAL: QSPR models for solubility of [C60] and [C70] fullerene derivatives

Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina Gini, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Molecular Diversity

Year:

2011

Language:

english

File:

PDF, 405 KB

english, 2011

6

A GC-MS method for the analysis of fecal and plant sterols in sediment samples

Emilio Benfenati, Etienne Cools, Elena Fattore, Roberto Fanelli

Journal:

Year:

1994

Language:

english

File:

PDF, 565 KB

english, 1994

7

ERICA: A multiparametric toxicological risk index for the assessment of environmental healthiness

Elena Boriani, Alessandro Mariani, Diego Baderna, Cinzia Moretti, Marco Lodi, Emilio Benfenati

Journal:

Environment International

Year:

2010

Language:

english

File:

PDF, 628 KB

english, 2010

8

Screening of endocrine-disrupting phenols, herbicides, steroid estrogens, and estrogenicity in drinking water from the waterworks of 35 Italian cities and from PET-bottled mineral water

Maggioni, Silvia, Balaguer, Patrick, Chiozzotto, Claudia, Benfenati, Emilio

Journal:

Environmental Science and Pollution Research

Year:

2013

Language:

english

File:

PDF, 263 KB

english, 2013

9

The definition of the molecular structure for potential anti-malaria agents by the Monte Carlo method

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

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 511 KB

english, 2013

10

Meta-analysis of toxicity and teratogenicity of 133 chemicals from zebrafish developmental toxicity studies

Ducharme, Nicole A., Peterson, Leif E., Benfenati, Emilio, Reif, David, McCollum, Catherine W., Gustafsson, Jan-Åke, Bondesson, Maria

Journal:

Reproductive Toxicology

Year:

2013

Language:

english

File:

PDF, 1.49 MB

english, 2013

11

Virtual Screening for Aryl Hydrocarbon Receptor Binding Prediction

Lo Piparo, Elena, Koehler, Konrad, Chana, Antonio, Benfenati, Emilio

Journal:

Journal of Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 154 KB

english, 2006

12

Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms

Golbamaki, Nazanin, Rasulev, Bakhtiyor, Cassano, Antonio, Marchese Robinson, Richard L., Benfenati, Emilio, Leszczynski, Jerzy, Cronin, Mark T. D.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.61 MB

english, 2015

13

Pollution of ground and drinking water with volatile organic compounds: Solid‐phase microextraction and GC/MS analysis

Hassan, Ashraf A. M., Benfenati, Emilio, Facchini, Gabriella, Fanelli, Roberto

Journal:

Toxicological & Environmental Chemistry

Year:

1996

Language:

english

File:

PDF, 311 KB

english, 1996

14

[Methods in Molecular Biology] In Silico Methods for Predicting Drug Toxicity Volume 1425 ||

Benfenati, Emilio

Year:

2016

Language:

english

File:

PDF, 18.17 MB

english, 2016

15

[Methods in Molecular Biology] In Silico Methods for Predicting Drug Toxicity Volume 1425 || Modeling Pharmacokinetics

Benfenati, Emilio

Year:

2016

Language:

english

File:

PDF, 381 KB

english, 2016

16

[Methods in Molecular Biology] In Silico Methods for Predicting Drug Toxicity Volume 1425 || In Silico Prediction of Chemically Induced Mutagenicity: How to Use QSAR Models and Interpret Their Results

Benfenati, Emilio

Year:

2016

Language:

english

File:

PDF, 796 KB

english, 2016

17

[Lecture Notes in Computer Science] Knowledge Exploration in Life Science Informatics Volume 3303 || Text Mining of Full Text Articles and Creation of a Knowledge Base for Analysis of Microarray Data

López, Jesús A., Benfenati, Emilio, Dubitzky, Werner

Year:

2004

Language:

english

File:

PDF, 276 KB

english, 2004

18

Use of quasi-SMILES to model biological activity of “micelle–polymer” samples

Toropov, Andrey A., Toropova, Alla P., Benfenati, Emilio, Diomede, Luisa, Salmona, Mario

Journal:

Structural Chemistry

Year:

2018

Language:

english

File:

PDF, 1.30 MB

english, 2018

19

Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES

Toropova, Alla P., Toropov, Andrey A., Benfenati, Emilio, Leszczynska, Danuta, Leszczynski, Jerzy

Journal:

Year:

2018

Language:

english

File:

PDF, 1.11 MB

english, 2018

20

QSAR modeling of ToxCast assays Relevant to the Molecular Initiating Events of AOPs Leading to Hepatic Steatosis

Gadaleta, Domenico, Manganelli, Serena, Roncaglioni, Alessandra, Toma, Cosimo, Benfenati, Emilio, Mombelli, Enrico

Journal:

Journal of Chemical Information and Modeling

Year:

2018

Language:

english

File:

PDF, 1.44 MB

english, 2018

21

CORAL: Predictive models for cytotoxicity of functionalized nanozeolites based on quasi-SMILES

Leone, Caterina, Bertuzzi, Elia E., Toropova, Alla P., Toropov, Andrey A., Benfenati, Emilio

Journal:

Year:

2018

Language:

english

File:

PDF, 1.11 MB

english, 2018

22

Quasi-SMILES as a tool to predict removal rates of pharmaceuticals and dyes in sewage

Toropova, Alla P., Toropov, Andrey A., Benfenati, Emilio, Castiglioni, Sara, Bagnati, Renzo, Passoni, Alice, Zuccato, Ettore, Fanelli, Roberto

Journal:

Process Safety and Environmental Protection

Year:

2018

Language:

english

File:

PDF, 487 KB

english, 2018

23

Consensus QSAR modeling of toxicity of pharmaceuticals to different aquatic organisms: Ranking and prioritization of the DrugBank database compounds

Khan, Kabiruddin, Benfenati, Emilio, Roy, Kunal

Journal:

Ecotoxicology and Environmental Safety

Year:

2019

Language:

english

File:

PDF, 1.58 MB

english, 2019

24

Investigating landfill leachate toxicity in vitro: A review of cell models and endpoints

Baderna, Diego, Caloni, Francesca, Benfenati, Emilio

Journal:

Environment International

Year:

2018

Language:

english

File:

PDF, 610 KB

english, 2018

25

Development, validation and integration of in silico models to identify androgen active chemicals

Manganelli, Serena, Roncaglioni, Alessandra, Mansouri, Kamel, Judson, Richard S., Benfenati, Emilio, Manganaro, Alberto, Ruiz, Patricia

Journal:

Year:

2019

Language:

english

File:

PDF, 1.68 MB

english, 2019

26

Ecotoxicological QSAR Modeling of Endocrine Disruptor Chemicals

Khan, Kabiruddin, Roy, Kunal, Benfenati, Emilio

Journal:

Journal of Hazardous Materials

Year:

2019

Language:

english

File:

PDF, 1.89 MB

english, 2019

27

QSAR modeling of Daphnia magna and fish toxicities of biocides using 2D descriptors

Khan, Kabiruddin, Khan, Pathan Mohsin, Lavado, Giovanna, Valsecchi, Cecile, Pasqualini, Julia, Baderna, Diego, Marzo, Marco, Lombardo, Anna, Roy, Kunal, Benfenati, Emilio

Journal:

Year:

2019

Language:

english

File:

PDF, 2.28 MB

english, 2019

28

Ecotoxicological QSAR modeling of organic compounds against fish: Application of fragment based descriptors in feature analysis

Khan, Kabiruddin, Baderna, Diego, Cappelli, Claudia, Toma, Cosimo, Lombardo, Anna, Roy, Kunal, Benfenati, Emilio

Journal:

Aquatic Toxicology

Year:

2019

Language:

english

File:

PDF, 2.01 MB

english, 2019

29

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

Gadaleta, Domenico, Marzo, Marco, Toropov, Andrey Andreevich, Toropova, Alla, Lavado, Giovanna Janet, Escher, Sylvia, Dorne, Jean-Lou, Benfenati, Emilio

Journal:

Chemical Research in Toxicology

Year:

2020

File:

PDF, 573 KB

2020

30

A comparison of three methods of soft ionization mass spectrometry of crude phospholipid extracts

Emilio Benfenati, Roberto Reginato

Journal:

Biological Mass Spectrometry = Journal of Mass Spectrometry (Wiley)

Year:

1985

Language:

english

File:

PDF, 703 KB

english, 1985

31

Molecular species analysis of phospholipids by negative ion fast atom bombardment mass spectrometry: Application of surface precipitation technique

Su Chen, Emilio Benfenati, Robert Fanelli, Günther Kirschner, Francesco Pregnolato

Journal:

Biological Mass Spectrometry = Journal of Mass Spectrometry (Wiley)

Year:

1989

Language:

english

File:

PDF, 415 KB

english, 1989

32

ChemInform Abstract: Predictive Carcinogenicity: A Model for Aromatic Compounds, with Nitrogen-Containing Substituents, Based on Molecular Descriptors Using an Artificial Neural Network.

Giuseppina Gini, Marco Lorenzini, Emilio Benfenati, Paola Grasso, Maurizio Bruschi

Journal:

Year:

2000

File:

PDF, 26 KB

2000

33

ChemInform Abstract: Interpretation of Quantitative Structure—Property and —Activity Relationships.

Alan R. Katritzky, Ruslan Petrukhin, Douglas Tatham, Subhash Basak, Emilio Benfenati, Mati Karelson, Uko Maran

Journal:

Year:

2001

File:

PDF, 25 KB

2001

34

The Importance of Scaling in Data Mining for Toxicity Prediction.

Paolo Mazzatorta, Emilio Benfenati, Daniel Neagu, Giuseppina Gini

Journal:

Year:

2002

File:

PDF, 23 KB

2002

35

Classification of Potential Endocrine Disrupters on the Basis of Molecular Structure Using a Nonlinear Modeling Method.

Alessandra Roncaglioni, Marjana Novic, Marjan Vracko, Emilio Benfenati

Journal:

Year:

2004

File:

PDF, 51 KB

2004

36

Predictive Models for Aquatic Toxicity of Aldehydes Designed for Various Model Chemistries.

Martin Smiesko, Emilio Benfenati

Journal:

Year:

2004

File:

PDF, 81 KB

2004

37

Description of the Electronic Structure of Organic Chemicals Using Semiempirical and ab initio Methods for Development of Toxicological QSARs.

Tatiana I. Netzeva, Aynur O. Aptula, Emilio Benfenati, Mark T. D. Cronin, Giuseppina Gini, Iglika Lessigiarska, Uko Maran, Marjan Vracko, Gerrit Schueuermann

Journal:

Year:

2005

File:

PDF, 8 KB

2005

38

3D-QSAR and Molecular Mechanics Study for the Differences in the Azole Activity Against Yeastlike and Filamentous Fungi and Their Relation to P450DM Inhibition. Part 1. 3-Substituted-4(3H)-quinazolinones.

Filip Fratev, Emilio Benfenati

Journal:

Year:

2005

File:

PDF, 8 KB

2005

39

Involvement of a serine protease in the synthesis of platelet-activating factor by endothelial cells stimulated by tumor necrosis factor-α or interleukin-1α

Federico Bussolino, Marco Arese, Lugi Silvestro, Raffaella Soldi, Emilio Benfenati, Fiorella Sanavio, Massimo Aglietta, Amalia Bosia, Giovanni Camussi

Journal:

European Journal of Immunology

Year:

1994

Language:

english

File:

PDF, 970 KB

english, 1994

40

Database mining with adaptive fuzzy partition: Application to the prediction of pesticide toxicity on rats

Marco Pintore, Nadège Piclin, Emilio Benfenati, Giuseppina Gini, Jacques R. Chrétien

Journal:

Environmental Toxicology and Chemistry

Year:

2003

Language:

english

File:

PDF, 121 KB

english, 2003

41

Preparation of 4,4′-diaminodiphenylmethane-(2H4) for use as internal standard in the quantification of 4,4′-diaminodiphenylmethane

Marco Natangelo, Renzo Bagnati, Roberto Fanelli, Marco Gavinelli, Claudia Ulbricht, Emilio Benfenati

Journal:

Journal of Labelled Compounds and Radiopharmaceuticals

Year:

1991

Language:

english

File:

PDF, 170 KB

english, 1991

42

A gas chromatographic mass spectrometric assay for the determination of aphidicolin in plasma of cancer patients

Serenella Rotondo, Massimo Zucchetti, Cristiana Sessa, Maurizio D'Incalci, Emilio Benfenati, Roberto Fanelli

Journal:

Journal of Pharmaceutical Sciences

Year:

1989

Language:

english

File:

PDF, 335 KB

english, 1989

43

Batch square-wave voltammetric and flow-injection amperometric determination of trace amounts of bromofenoxim

Xiaohua Cai, Božidar Ogorevc, Emilio Benfenati, Kurt Kalcher, Milko Novič, Irena Grabec

Journal:

Analytica Chimica Acta

Year:

1995

Language:

english

File:

PDF, 758 KB

english, 1995

44

Reaction of 2-amino-2-deoxy-d-glucose and lysine: Isolation and characterization of 2,5-bis(tetrahydroxybutyl)pyrazine

Giovanni Candiano, Gian Marco Ghiggeri, Rosanna Gusmano, Lucia Zetta, Emilio Benfenati, Giorgio Icardi

Journal:

Carbohydrate Research

Year:

1988

Language:

english

File:

PDF, 532 KB

english, 1988

45

Analysis of chlorinated 1,3-butadienes by solid-phase microextraction and gas chromatography-mass spectrometry

Elena Fattore, Emilio Benfenati, Roberto Fanelli

Journal:

Journal of Chromatography A

Year:

1996

Language:

english

File:

PDF, 333 KB

english, 1996

46

Quantification of 4,4′-diaminodiphenylmethane by gas chromatography negative ion chemical lonization mass spectrometry

Emilio Benfenati, Marco Natangelo, Roberto Fanelli, Gabriele Lualdi‡, Rosa Tridico

Journal:

Microchemical Journal

Year:

1992

Language:

english

File:

PDF, 323 KB

english, 1992

47

High-performance liquid chromatographic assay for the determination of p-(3,3-dimethyl-1-triazeno)benzoic acid in mouse plasma

Pierluigi Farina, Emilio Benfenati, Lucia Lassiani, Carlo Nisi, Maurizio D'incalci

Journal:

Journal of Chromatography B: Biomedical Sciences and Applications

Year:

1985

Language:

english

File:

PDF, 639 KB

english, 1985

48

Simultaneous determination of isbufylline and its major metabolites in rabbit blood and urine by reversed-phase high-performance liquid chromatography

Antonio Celardo, Giuseppe Dell'Elba, Rita Frassanito, Emilio Benfenati, Maurizio Bonati

Journal:

Journal of Chromatography B: Biomedical Sciences and Applications

Year:

1991

Language:

english

File:

PDF, 379 KB

english, 1991

49

QSAR models for Daphnia toxicity of pesticides based on combinations of topological parameters of molecular structures

Andrey A. Toropov, Emilio Benfenati

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 176 KB

english, 2006

50

Correlation weighting of valence shells in QSAR analysis of toxicity

Andrey A. Toropov, Emilio Benfenati

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 136 KB

english, 2006

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