Dr. Alla P Toropova, PhD - Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via Giuseppe La Masa, 19, 20156 Milan, Italy

Dr. Alla P Toropova

PhD

Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via Giuseppe La Masa, 19, 20156 Milan, Italy

Milano | Italy

ORCID logohttps://orcid.org/0000-0002-4194-9963

Dr. Alla P Toropova, PhD - Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via Giuseppe La Masa, 19, 20156 Milan, Italy

Dr. Alla P Toropova

PhD

Introduction

Primary Affiliation: Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via Giuseppe La Masa, 19, 20156 Milan, Italy - Milano , Italy


View Dr. Alla P Toropova’s Resume / CV

Publications

69Publications

451Reads

245Profile Views

Semi-correlations combined with the index of ideality of correlation: a tool to build up model of mutagenic potential.

Mol Cell Biochem 2019 Feb 3;452(1-2):133-140. Epub 2018 Aug 3.

Department of Chemistry and Biochemistry, Interdisciplinary Nanotoxicity Center, Jackson State University, 1400 J. R. Lynch Street, P.O. Box 17910, Jackson, MS, 39217, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1007/s11010-018-3419-4DOI Listing
February 2019
8 Reads
2.393 Impact Factor

Predicting Cytotoxicity of 2-Phenylindole Derivatives Against Breast Cancer Cells Using Index of Ideality of Correlation.

Anticancer Res 2018 Nov;38(11):6189-6194

Laboratory of Environmental Chemistry and Toxicology, Mario Negri Institute of Pharmacological Research IRCCS, Milan, Italy

View Article

Download full-text PDF

Source
http://dx.doi.org/10.21873/anticanres.12972DOI Listing
November 2018
11 Reads
1.872 Impact Factor

Use of the index of ideality of correlation to improve models of eco-toxicity.

Environ Sci Pollut Res Int 2018 Nov 25;25(31):31771-31775. Epub 2018 Sep 25.

Laboratory of Environmental Chemistry and Toxicology, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via La Masa 19, 20156, Milan, Italy.

View Article

Download full-text PDF

Source
http://link.springer.com/10.1007/s11356-018-3291-5
Publisher Site
http://dx.doi.org/10.1007/s11356-018-3291-5DOI Listing
November 2018
17 Reads
2.830 Impact Factor

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

Chemosphere 2018 Nov 27;210:52-56. Epub 2018 Jun 27.

Department of Environmental Health Sciences, Laboratory of Environmental Chemistry and Toxicology, IRCCS, Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156, Milan, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.chemosphere.2018.06.161DOI Listing
November 2018
1 Read
3.340 Impact Factor

Quasi-SMILES: quantitative structure-activity relationships to predict anticancer activity.

Mol Divers 2018 Oct 10. Epub 2018 Oct 10.

Laboratory of Environmental Chemistry and Toxicology, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri - IRCCS, Via La Masa 19, 20156, Milan, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1007/s11030-018-9881-9DOI Listing
October 2018
1 Read
1.900 Impact Factor

Virtual Screening of Anti-Cancer Compounds: Application of Monte Carlo Technique.

Anticancer Agents Med Chem 2018 Oct 25. Epub 2018 Oct 25.

Interdisciplinary Nanotoxicity Center, Department of Chemistry and Biochemistry, Jackson State University, 1400 J. R. Lynch Street, P.O. Box 17910, Jackson, MS 39217. United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.2174/1871520618666181025122318DOI Listing
October 2018
1 Read
2.470 Impact Factor

The index of ideality of correlation: improvement of models for toxicity to algae.

Nat Prod Res 2018 Oct 15:1-8. Epub 2018 Oct 15.

a Department of Environmental Health Science, Laboratory of Environmental Chemistry and Toxicology , IRCCS-Istituto di Ricerche Farmacologiche Mario Negri , Milano , Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1080/14786419.2018.1493591DOI Listing
October 2018
1 Read
0.920 Impact Factor

Use of the index of ideality of correlation to improve predictive potential for biochemical endpoints.

Toxicol Mech Methods 2018 Oct 3:1-10. Epub 2018 Oct 3.

a Department of Environmental Health Science, Laboratory of Environmental Chemistry and Toxicology , Istituto di Ricerche Farmacologiche Mario Negri IRCCS , Milano , Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1080/15376516.2018.1506851DOI Listing
October 2018
13 Reads
1.550 Impact Factor

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

Biosystems 2018 Jul 22;169-170:5-12. Epub 2018 May 22.

Interdisciplinary Nanotoxicity Center, Department of Chemistry and Biochemistry, Jackson State University, 1400 J. R. Lynch Street, P.O. Box 17910, Jackson, MS 39217, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.biosystems.2018.05.003DOI Listing
July 2018
4 Reads
1.550 Impact Factor

Mutagenicity, anticancer activity and blood brain barrier: similarity and dissimilarity of molecular alerts.

Toxicol Mech Methods 2018 Jun 16;28(5):321-327. Epub 2018 Jan 16.

b Department of Molecular Biochemistry and Pharmacology, Laboratory of Pharmacodynamics and Pharmacokinetics , IRCCS-Istituto di Ricerche Farmacologiche Mario Negri , Milano , Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1080/15376516.2017.1422579DOI Listing
June 2018
12 Reads
1.550 Impact Factor

SAR for gastro-intestinal absorption and blood-brain barrier permeation of pesticides.

Chem Biol Interact 2018 Jun 16;290:1-5. Epub 2018 May 16.

Scientific Committee and Emerging Risks Unit, European Food Safety Authority, Via Carlo Magno 1A, 43126 Parma, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.cbi.2018.04.030DOI Listing
June 2018
1 Read
2.580 Impact Factor

QSPR analysis of threshold of odor for the large number of heterogenic chemicals.

Mol Divers 2018 May 5;22(2):397-403. Epub 2017 Dec 5.

Laboratory of Mass Spectrometry, Department of Environmental Health Sciences, IRCCS Istituto di Ricerche Farmacologiche Mario Negri, Milan, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1007/s11030-017-9800-5DOI Listing
May 2018
2 Reads
1.900 Impact Factor

Towards the Development of Global Nano-Quantitative Structure-Property Relationship Models: Zeta Potentials of Metal Oxide Nanoparticles.

Nanomaterials (Basel) 2018 Apr 15;8(4). Epub 2018 Apr 15.

Interdisciplinary Center for Nanotoxicity, Jackson State University, Jackson, MS 39217, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.3390/nano8040243DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5923573PMC
April 2018
4 Reads

The application of new HARD-descriptor available from the CORAL software to building up NOAEL models.

Food Chem Toxicol 2018 Feb 30;112:544-550. Epub 2017 Mar 30.

Department of Environmental Health Science, Laboratory of Environmental Chemistry and Toxicology, IRCCS-Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156 Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.fct.2017.03.060DOI Listing
February 2018
3 Reads
2.900 Impact Factor

CORAL: QSAR models for carcinogenicity of organic compounds for male and female rats.

Comput Biol Chem 2018 Feb 2;72:26-32. Epub 2018 Jan 2.

Department of Environmental Health Science, Laboratory of Environmental Chemistry and Toxicology, IRCCS-Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156, Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.compbiolchem.2017.12.012DOI Listing
February 2018
2 Reads
1.120 Impact Factor

CORAL: Monte Carlo Method to Predict Endpoints for Medical Chemistry.

Mini Rev Med Chem 2018 Feb;18(5):382-391

Department of Environmental Health Science, Laboratory of Environmental Chemistry and Toxicology, IRCCS-Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156, Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.2174/1389557517666170927154931DOI Listing
February 2018
7 Reads
2.903 Impact Factor

Improved building up a model of toxicity towards Pimephales promelas by the Monte Carlo method.

Environ Toxicol Pharmacol 2016 Dec 11;48:278-285. Epub 2016 Nov 11.

Third Department of Medicine-Department of Endocrinology and Metabolism, First Faculty of Medicine, Charles University in Prague and General University Hospital in Prague, UNemocnice1, 12808 Prague 2, Czechia.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.etap.2016.11.010DOI Listing
December 2016
8 Reads
1.862 Impact Factor

Odor threshold prediction by means of the Monte Carlo method.

Ecotoxicol Environ Saf 2016 Nov 6;133:390-4. Epub 2016 Aug 6.

IRCCS Istituto di Ricerche Farmacologiche Mario Negri, Department of Environmental Health Sciences, Laboratory of Mass Spectrometry, Milan, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.ecoenv.2016.07.039DOI Listing
November 2016
4 Reads
2.762 Impact Factor

Monte Carlo-based quantitative structure-activity relationship models for toxicity of organic chemicals to Daphnia magna.

Environ Toxicol Chem 2016 11 12;35(11):2691-2697. Epub 2016 Jul 12.

Interdisciplinary Nanotoxicity Center, Department of Chemistry and Biochemistry, Jackson State University, Jackson, Mississippi, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/etc.3466DOI Listing
November 2016
8 Reads
3.230 Impact Factor

The Monte Carlo technique as a tool to predict LOAEL.

Eur J Med Chem 2016 Jun 30;116:71-75. Epub 2016 Mar 30.

IRCCS- Istituto di Ricerche Farmacologiche Mario Negri, Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.ejmech.2016.03.075DOI Listing
June 2016
8 Reads
3.450 Impact Factor

Use of Quasi-SMILES and Monte Carlo Optimization to Develop Quantitative Feature Property/Activity Relationships (QFPR/QFAR) for Nanomaterials.

Curr Top Med Chem 2015 ;15(18):1837-44

IRCCS, Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156 Milano, Italy.

View Article

Download full-text PDF

Source
April 2016
8 Reads
3.402 Impact Factor

Editorial: From Chemoinformatics to Nanoinformatics: New Tools for Drug Discovery and Nanoparticles Design in Medicinal Chemistry.

Curr Top Med Chem 2015 ;15(18):1767

Laboratory of Environmental Chemistry and Toxicology IRCCS, Istituto di Ricerche Farmacologiche Mario Negri Via La Masa 19, 20156 Milano Italy.

View Article

Download full-text PDF

Source
April 2016
4 Reads
3.402 Impact Factor

Building up a QSAR model for toxicity toward Tetrahymena pyriformis by the Monte Carlo method: A case of benzene derivatives.

Environ Toxicol Pharmacol 2016 Mar 18;42:135-45. Epub 2016 Jan 18.

IRCCS-Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.etap.2016.01.010DOI Listing
March 2016
4 Reads
1.862 Impact Factor

QSAR model for predicting cell viability of human embryonic kidney cells exposed to SiO₂ nanoparticles.

Chemosphere 2016 Feb 3;144:995-1001. Epub 2015 Oct 3.

IRCSS-Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa, 19, 20156, Milan, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.chemosphere.2015.09.086DOI Listing
February 2016
4 Reads
3.340 Impact Factor

Nano-QSAR: Model of mutagenicity of fullerene as a mathematical function of different conditions.

Ecotoxicol Environ Saf 2016 Feb 13;124:32-36. Epub 2015 Oct 13.

Interdisciplinary Nanotoxicity Center, Department of Chemistry and Biochemistry, Jackson State University, 1400 J. R. Lynch Street, P.O. Box 17910, Jackson, MS 39217, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.ecoenv.2015.09.038DOI Listing
February 2016
6 Reads
2.762 Impact Factor

Mutagenicity: QSAR - quasi-QSAR - nano-QSAR.

Mini Rev Med Chem 2015 ;15(8):608-21

IRCCS, Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156 Milano, Italy.

View Article

Download full-text PDF

Source
January 2016
3 Reads
2.903 Impact Factor

The Monte Carlo method based on eclectic data as an efficient tool for predictions of endpoints for nanomaterials - two examples of application.

Comb Chem High Throughput Screen 2015 ;18(4):376-86

IRCCS-Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156 Milano, Italy.

View Article

Download full-text PDF

Source
December 2015
11 Reads
1.222 Impact Factor

Prediction of retention characteristics of heterocyclic compounds.

Anal Bioanal Chem 2015 Dec 1;407(30):9185-9. Epub 2015 Oct 1.

Faculty of Pharmacy, Department of Inorganic and Organic Chemistry, Charles University in Prague, Heyrovskeho 1203, 500 05, Hradec Kralove, Czech Republic.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1007/s00216-015-9067-6DOI Listing
December 2015
4 Reads
3.440 Impact Factor

Quasi-SMILES and nano-QFAR: united model for mutagenicity of fullerene and MWCNT under different conditions.

Chemosphere 2015 Nov 27;139:18-22. Epub 2015 May 27.

IRCCS, Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156 Milano, Italy. Electronic address:

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.chemosphere.2015.05.042DOI Listing
November 2015
6 Reads
3.340 Impact Factor

Large-scale structure-activity relationship study of hepatitis C virus NS5B polymerase inhibition using SMILES-based descriptors.

Mol Divers 2015 Nov;19(4):955-64

Center of Data Mining and Biomedical Informatics, Faculty of Medical Technology, Mahidol University, Bangkok, 10700, Thailand.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1007/s11030-015-9614-2DOI Listing
November 2015
3 Reads
1.900 Impact Factor

In silico prediction of the β-cyclodextrin complexation based on Monte Carlo method.

Int J Pharm 2015 Nov 28;495(1):404-409. Epub 2015 Aug 28.

Faculty of Medicine, Department of Chemistry, University of Niš, Niš, Serbia.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.ijpharm.2015.08.078DOI Listing
November 2015
4 Reads
3.650 Impact Factor

QSAR models for the reactivation of sarin inhibited acetylcholinesterase by quaternary pyridinium oximes based on Monte Carlo method.

Curr Comput Aided Drug Des 2014 ;10(3):266-73

University of Nis, Faculty of Medicine, Department of Chemistry, Nis, Serbia.

View Article

Download full-text PDF

Source
October 2015
8 Reads
1.942 Impact Factor

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

Mol Divers 2015 Aug 8;19(3):563-75. Epub 2015 Apr 8.

Laboratory of Environmental Chemistry and Toxicology, IRCCS - Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20159, Milan, Italy,

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1007/s11030-015-9587-1DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4487358PMC
August 2015
3 Reads
1.900 Impact Factor

QSAR as a random event: a case of NOAEL.

Environ Sci Pollut Res Int 2015 Jun 19;22(11):8264-71. Epub 2014 Dec 19.

IRCCS, Istituto di Ricerche Farmacologiche Mario Negri, 20156, Via La Masa 19, Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1007/s11356-014-3977-2DOI Listing
June 2015
16 Reads
2.830 Impact Factor

Quasi-QSAR for mutagenic potential of multi-walled carbon-nanotubes.

Chemosphere 2015 Apr 20;124:40-6. Epub 2014 Nov 20.

IRCCS, Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156 Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.chemosphere.2014.10.067DOI Listing
April 2015
3 Reads
3.340 Impact Factor

QSAR model as a random event: A case of rat toxicity.

Bioorg Med Chem 2015 Mar 7;23(6):1223-30. Epub 2015 Feb 7.

Interdisciplinary Nanotoxicity Center, Department of Chemistry and Biochemistry, Jackson State University, 1400 J.R. Lynch Street, PO Box 17910, Jackson, MS 39217, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.bmc.2015.01.055DOI Listing
March 2015
3 Reads
2.793 Impact Factor

Optimal descriptor as a translator of eclectic data into prediction of cytotoxicity for metal oxide nanoparticles under different conditions.

Ecotoxicol Environ Saf 2015 Feb 5;112:39-45. Epub 2014 Nov 5.

Interdisciplinary Nanotoxicity Center, Department of Chemistry and Biochemistry, Jackson State University, 1400 JR Lynch Street, P.O. Box 17910, Jackson, MS 39217, USA.

View Article

Download full-text PDF

Source
http://www.insilico.eu/CORAL/ZnO%20and%20TiO2.pdf
Web Search
http://linkinghub.elsevier.com/retrieve/pii/S014765131400463
Publisher Site
http://dx.doi.org/10.1016/j.ecoenv.2014.10.003DOI Listing
February 2015
16 Reads
2.762 Impact Factor

Monte carlo method-based QSAR modeling of penicillins binding to human serum proteins.

Arch Pharm (Weinheim) 2015 Jan 18;348(1):62-7. Epub 2014 Nov 18.

Faculty of Medicine, Department of Chemistry, University of Niš, Niš, Serbia.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/ardp.201400259DOI Listing
January 2015
6 Reads
1.400 Impact Factor

Optimal nano-descriptors as translators of eclectic data into prediction of the cell membrane damage by means of nano metal-oxides.

Environ Sci Pollut Res Int 2015 Jan 17;22(1):745-57. Epub 2014 Sep 17.

IRCCS, Istituto di Ricerche Farmacologiche Mario Negri, 20156, Via La Masa 19, Milan, Italy.

View Article

Download full-text PDF

Source
http://link.springer.com/content/pdf/10.1007/s11356-014-3566
Web Search
http://link.springer.com/10.1007/s11356-014-3566-4
Publisher Site
http://dx.doi.org/10.1007/s11356-014-3566-4DOI Listing
January 2015
10 Reads
2.830 Impact Factor

QSAR Models for the Reactivation of Sarin Inhibited AChE by Quaternary Pyridinium Oximes Based on Monte Carlo Method.

Curr Comput Aided Drug Des 2014 Nov 26. Epub 2014 Nov 26.

Faculty of Medicine, Department of Chemistry, University of Niš, Bulevar Dr Zorana Đinđića 81, 18000 Niš, Serbia.

View Article

Download full-text PDF

Source
November 2014
32 Reads
1.942 Impact Factor

Optimal descriptor as a translator of eclectic information into the prediction of membrane damage: the case of a group of ZnO and TiO2 nanoparticles.

Ecotoxicol Environ Saf 2014 Oct 1;108:203-9. Epub 2014 Aug 1.

Interdisciplinary Nanotoxicity Center, Department of Chemistry and Biochemistry, Jackson State University, 1400 J. R. Lynch Street, PO Box 17910, Jackson, MS 39217, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.ecoenv.2014.07.005DOI Listing
October 2014
10 Reads
2.762 Impact Factor

Discovery of Potential, Non-Toxic Influenza Virus Inhibitor by Computational Techniques.

Mol Inform 2014 Aug 24;33(8):559-65. Epub 2014 Jul 24.

Industrial Biotechnology Division, School of Bio Sciences and Technology, VIT University, Vellore, 632014, Tamil Nadu, India tel: +91 9486667687; fax: +91 4162243092.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/minf.201400041DOI Listing
August 2014
2 Reads
2.013 Impact Factor

Optimal descriptor as a translator of eclectic data into endpoint prediction: mutagenicity of fullerene as a mathematical function of conditions.

Chemosphere 2014 Jun 15;104:262-4. Epub 2013 Nov 15.

IRCCS - Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, Milano 20156, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.chemosphere.2013.10.079DOI Listing
June 2014
6 Reads
3.340 Impact Factor

QSAR models for HEPT derivates as NNRTI inhibitors based on Monte Carlo method.

Eur J Med Chem 2014 Apr 11;77:298-305. Epub 2014 Mar 11.

University of Niš, Faculty of Medicine, Department of Chemistry, Bulevar Dr Zorana Djindjića 81, 18000 Niš, Serbia. Electronic address:

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.ejmech.2014.03.013DOI Listing
April 2014
5 Reads
3.450 Impact Factor

QSAR models for anti-malarial activity of 4-aminoquinolines.

Curr Comput Aided Drug Des 2014 Mar;10(1):75-82

(Vijay H. Masand) Department of Chemistry, Vidya Bharati College, Camp, Amravati, Maharashtra, 444 602, India.

View Article

Download full-text PDF

Source
March 2014
3 Reads
1.942 Impact Factor

CORAL software: prediction of carcinogenicity of drugs by means of the Monte Carlo method.

Eur J Pharm Sci 2014 Feb;52:21-5

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.ejps.2013.10.005DOI Listing
February 2014
2 Reads
3.350 Impact Factor

Comprehension of drug toxicity: software and databases.

Comput Biol Med 2014 Feb 27;45:20-5. Epub 2013 Nov 27.

Interdisciplinary Nanotoxicity Center, Department of Chemistry and Biochemistry, Jackson State University, 1400 J. R. Lynch Street, PO Box 17910, Jackson, MS 39217, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.compbiomed.2013.11.013DOI Listing
February 2014
2 Reads
1.240 Impact Factor

Optimal descriptor as a translator of eclectic information into the prediction of membrane damage by means of various TiO(2) nanoparticles.

Chemosphere 2013 Nov 22;93(10):2650-5. Epub 2013 Oct 22.

IRCCS, Istituto di Ricerche Farmacologiche Mario Negri, 20156, Via La Masa 19, Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.chemosphere.2013.09.089DOI Listing
November 2013
2 Reads
3.340 Impact Factor

In silico methods to predict drug toxicity.

Curr Opin Pharmacol 2013 Oct 21;13(5):802-6. Epub 2013 Jun 21.

IRCCS - Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156 Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.coph.2013.06.001DOI Listing
October 2013
6 Reads
4.595 Impact Factor

SMILES-based quantitative structure-property relationships for half-wave potential of N-benzylsalicylthioamides.

Eur J Med Chem 2013 Sep 18;67:111-4. Epub 2013 Jun 18.

Charles University in Prague, Faculty of Science, Department of Analytical Chemistry, Hlavova 8, 128 43 Prague 2, Czech Republic.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.ejmech.2013.05.031DOI Listing
September 2013
4 Reads
3.450 Impact Factor

QSAR as a random event: modeling of nanoparticles uptake in PaCa2 cancer cells.

Chemosphere 2013 Jun 6;92(1):31-7. Epub 2013 Apr 6.

Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via La Masa 19, 20156 Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.chemosphere.2013.03.012DOI Listing
June 2013
23 Reads
3.340 Impact Factor

OCWLGI descriptors: theory and praxis.

Curr Comput Aided Drug Des 2013 Jun;9(2):226-32

Istituto di Ricerche Farmacologiche Mario Negri, 20156, Via La Masa 19, Milano, Italy.

View Article

Download full-text PDF

Source
June 2013
4 Reads
1.942 Impact Factor

QSAR models for inhibitors of physiological impact of Escherichia coli that leads to diarrhea.

Biochem Biophys Res Commun 2013 Mar 10;432(2):214-25. Epub 2013 Feb 10.

Istituto di Ricerche Farmacologiche Mario Negri, Laboratory of Environmental Chemistry and Toxicology, Via La Masa 19, 20156 Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.bbrc.2013.02.011DOI Listing
March 2013
9 Reads
2.300 Impact Factor

CORAL: QSPR model of water solubility based on local and global SMILES attributes.

Chemosphere 2013 Jan 23;90(2):877-80. Epub 2012 Aug 23.

Istituto di Ricerche Farmacologiche Mario Negri, 20156, Via La Masa 19, Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.chemosphere.2012.07.035DOI Listing
January 2013
3 Reads
3.340 Impact Factor

Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli.

Chemosphere 2012 Nov 15;89(9):1098-102. Epub 2012 Jun 15.

Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156 Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.chemosphere.2012.05.077DOI Listing
November 2012
9 Reads
3.340 Impact Factor

CORAL: binary classifications (active/inactive) for Liver-Related Adverse Effects of Drugs.

Curr Drug Saf 2012 Sep;7(4):257-61

Istituto di Ricerche Farmacologiche Mario Negri, 20156, Via La Masa 19, Milano, Italy.

View Article

Download full-text PDF

Source
September 2012
2 Reads

Calculation of molecular features with apparent impact on both activity of mutagens and activity of anticancer agents.

Anticancer Agents Med Chem 2012 Sep;12(7):807-17

Istituto di Ricerche Farmacologiche Mario Negri, 20156 Via La Masa 19, Milano, Italy.

View Article

Download full-text PDF

Source
September 2012
8 Reads
2.470 Impact Factor

QSAR models for toxicity of organic substances to Daphnia magna built up by using the CORAL freeware.

Chem Biol Drug Des 2012 Mar 11;79(3):332-8. Epub 2012 Jan 11.

Istituto di Ricerche Farmacologiche Mario Negri, Milan, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1111/j.1747-0285.2011.01279.xDOI Listing
March 2012
3 Reads
2.485 Impact Factor

SMILES-based QSAR approaches for carcinogenicity and anticancer activity: comparison of correlation weights for identical SMILES attributes.

Anticancer Agents Med Chem 2011 Dec;11(10):974-82

Istituto di Ricerche Farmacologiche Mario Negri, Milano, Italy.

View Article

Download full-text PDF

Source
December 2011
12 Reads
2.470 Impact Factor

coral Software: QSAR for Anticancer Agents.

Chem Biol Drug Des 2011 Jun 4;77(6):471-6. Epub 2011 May 4.

Istituto di Ricerche Farmacologiche Mario Negri, Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1111/j.1747-0285.2011.01117.xDOI Listing
June 2011
37 Reads
2.485 Impact Factor

Simplified molecular input-line entry system and International Chemical Identifier in the QSAR analysis of styrylquinoline derivatives as HIV-1 integrase inhibitors.

Chem Biol Drug Des 2011 May 25;77(5):343-60. Epub 2011 Mar 25.

Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156 Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1111/j.1747-0285.2011.01109.xDOI Listing
May 2011
6 Reads
2.485 Impact Factor

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

Mol Divers 2011 Feb 27;15(1):249-56. Epub 2010 Mar 27.

Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156, Milano, Italy.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1007/s11030-010-9245-6DOI Listing
February 2011
3 Reads
1.900 Impact Factor

InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance.

Eur J Med Chem 2010 Apr 6;45(4):1387-94. Epub 2010 Jan 6.

Institute of Geology and Geophysics, 100041, Khodzhibaev St. 49, Tashkent, Uzbekistan.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.ejmech.2009.12.037DOI Listing
April 2010
2 Reads
3.450 Impact Factor

QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations.

Eur J Med Chem 2010 Apr 6;45(4):1639-47. Epub 2010 Jan 6.

Institute of Geology and Geophysics, 100041, Khodzhibaev St. 49, Tashkent, Uzbekistan.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.ejmech.2009.12.043DOI Listing
April 2010
2 Reads
3.450 Impact Factor

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

J Comput Chem 2010 Jan;31(2):381-92

Institute of Geology and Geophysics, Laboratory of Physicochemical Methods of Analysis, Khodzhibaev St. 49, 100041 Tashkent, Uzbekistan.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/jcc.21333DOI Listing
January 2010
4 Reads
3.590 Impact Factor

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

J Comput Chem 2009 Nov;30(15):2576-82

Institute of Geology and Geophysics, Laboratory of Physicochemical Methods of Analysis, Khodzhibaev Street 49, 100041 Tashkent, Uzbekistan.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/jcc.21263DOI Listing
November 2009
3 Reads
3.590 Impact Factor

Additive SMILES-based carcinogenicity models: Probabilistic principles in the search for robust predictions.

Int J Mol Sci 2009 Jul 8;10(7):3106-27. Epub 2009 Jul 8.

Institute of Geology and Geophysics, 100041, Khodzhibaev St. 49, Tashkent, Uzbekistan.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.3390/ijms10073106DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2738914PMC
July 2009
2 Reads
2.862 Impact Factor

Simplified molecular input line entry system-based optimal descriptors: quantitative structure-activity relationship modeling mutagenicity of nitrated polycyclic aromatic hydrocarbons.

Chem Biol Drug Des 2009 May;73(5):515-25

Institute of Geology and Geophysics, Khodzhibaev St. 49, 100041 Tashkent, Uzbekistan.

View Article

Download full-text PDF

Source
May 2009
2 Reads
2.485 Impact Factor

QSAR modelling for mutagenic potency of heteroaromatic amines by optimal SMILES-based descriptors.

Chem Biol Drug Des 2009 Mar;73(3):301-12

Institute of Geology and Geophysics, 100041 Khodzhibaev St. 49, Tashkent, Uzbekistan.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1111/j.1747-0285.2009.00778.xDOI Listing
March 2009
5 Reads
2.485 Impact Factor

Top co-authors

Emilio Benfenati
Emilio Benfenati

Institute of Geology and Geophysics

34
Jerzy Leszczynski
Jerzy Leszczynski

Jackson State University

22
Danuta Leszczynska
Danuta Leszczynska

Interdisciplinary Nanotoxicity Center

21
Giuseppina Gini
11
Aleksandar M Veselinovic
Aleksandar M Veselinovic

University of Nis

11
Ivan Raska
Ivan Raska

Institute of Experimental Medicine

4
Goran M Nikolic
Goran M Nikolic

University of Nis

4
Tomasz Puzyn
Tomasz Puzyn

University of Gda?sk

3
Karel Nesmerak
Karel Nesmerak

Charles University in Prague

2