Crossref journal-article
Elsevier BV
Drug Discovery Today (78)
Bibliography

Nicolotti, O., Benfenati, E., Carotti, A., Gadaleta, D., Gissi, A., Mangiatordi, G. F., & Novellino, E. (2014). REACH and in silico methods: an attractive opportunity for medicinal chemists. Drug Discovery Today, 19(11), 1757–1768.

Authors 7
  1. Orazio Nicolotti (first)
  2. Emilio Benfenati (additional)
  3. Angelo Carotti (additional)
  4. Domenico Gadaleta (additional)
  5. Andrea Gissi (additional)
  6. Giuseppe Felice Mangiatordi (additional)
  7. Ettore Novellino (additional)
References 49 Referenced 77
  1. {'year': '2012', 'series-title': 'The e-Book on QSAR and REACH: Theory, Guidance and Applications', 'key': '10.1016/j.drudis.2014.06.027_bib0005'} / The e-Book on QSAR and REACH: Theory, Guidance and Applications (2012)
  2. {'key': '10.1016/j.drudis.2014.06.027_bib0010', 'first-page': '1', 'volume': '396', 'author': 'European Commission', 'year': '2006', 'journal-title': 'Off. J. Eur. Union Lett.'} / Off. J. Eur. Union Lett. by European Commission (2006)
  3. {'key': '10.1016/j.drudis.2014.06.027_bib0015', 'first-page': '46', 'article-title': 'Recent developments in global regulatory framework in the chemical industry', 'volume': '57', 'author': 'Van Heerden', 'year': '2012', 'journal-title': 'Popul. Plast. Packag.'} / Popul. Plast. Packag. / Recent developments in global regulatory framework in the chemical industry by Van Heerden (2012)
  4. 10.14573/altex.2009.3.187 / ALTEX / Re-evaluation of animal numbers and costs for in vivo tests to accomplish REACH legislation requirements for chemicals: a report by the Transatlantic Think Tank for Toxicology (T(4)) by Rovida (2009)
  5. {'key': '10.1016/j.drudis.2014.06.027_bib0025', 'article-title': 'Exploratory toxicology as an integrated part of drug discovery. Part I: why and how', 'author': 'Hornberg', 'year': '2013', 'journal-title': 'Drug Discov. Today'} / Drug Discov. Today / Exploratory toxicology as an integrated part of drug discovery. Part I: why and how by Hornberg (2013)
  6. {'key': '10.1016/j.drudis.2014.06.027_bib0030', 'first-page': '1', 'article-title': 'Regulation (EU) No 528/2012 of The European Parliament and of The Council of 22 May 2012 concerning the making available on the market and use of biocidal products', 'volume': '167', 'author': 'European Union', 'year': '2012', 'journal-title': 'Off. J. Eur. Union Lett.'} / Off. J. Eur. Union Lett. / Regulation (EU) No 528/2012 of The European Parliament and of The Council of 22 May 2012 concerning the making available on the market and use of biocidal products by European Union (2012)
  7. 10.1002/qsar.200390007 / QSAR Comb. Sci. / The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR models by Tropsha (2003)
  8. 10.1007/s10822-011-9495-0 / J. Comput. Aided Mol. Des. / The inevitable QSAR renaissance by Cramer (2012)
  9. 10.1016/j.yrtph.2013.06.002 / Regul. Toxicol. Pharmacol. / Use of category approaches, read-across and (Q)SAR: general considerations by Patlewicz (2013)
  10. 10.14573/altex.2013.1.019 / ALTEX / Using toxicological evidence from QSAR models in practice by Benfenati (2013)
  11. {'year': '2014', 'series-title': 'Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11', 'author': 'US EPA', 'key': '10.1016/j.drudis.2014.06.027_bib0055'} / Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 by US EPA (2014)
  12. 10.1080/15376510701857353 / Toxicol. Mech. Methods / A hierarchical clustering methodology for the estimation of toxicity by Martin (2008)
  13. 10.1177/026119291404200104 / Altern. Lab. Anim. / The QSPR-THESAURUS: the online platform of the CADASTER project by Brandmaier (2014)
  14. 10.1002/qsar.200810084 / QSAR Comb. Sci. / Are the chemical structures in your QSAR correct? by Young (2008)
  15. 10.1021/ci700443v / J. Chem. Inf. Model. / Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis by Zhu (2008)
  16. 10.1021/ci800151m / J. Chem. Inf. Model. / Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection by Tetko (2008)
  17. 10.1038/nrd1032 / Nat. Rev. Drug Discov. / ADMET in silico modelling: towards prediction paradise? by van de Waterbeemd (2003)
  18. 10.1016/S0169-409X(96)00423-1 / Adv. Drug Deliv. Res. / Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings by Lipinski (1997)
  19. 10.1038/nrd3367 / Nat. Rev. Drug Discov. / Probing the links between in vitro potency, ADMET and physicochemical parameters by Gleeson (2011)
  20. 10.1021/jm401564r / J. Med. Chem. / Discovery of Innovative therapeutics: today's realities and tomorrow's vision. 2. Pharma's challenges and their commitment to innovation by Abou-Gharbia (2014)
  21. 10.1038/nchem.1243 / Nat. Chem. / Quantifying the chemical beauty of drugs by Bickerton (2012)
  22. {'key': '10.1016/j.drudis.2014.06.027_bib0110', 'series-title': 'Chemical Induction of Cancer. Modulation and Combination Effects', 'first-page': '1', 'article-title': 'Multifactor interaction network of carcinogenesis – a “Tour Guide”', 'author': 'Arcos', 'year': '1995'} / Chemical Induction of Cancer. Modulation and Combination Effects / Multifactor interaction network of carcinogenesis – a “Tour Guide” by Arcos (1995)
  23. 10.1002/1097-0142(19840515)53:10<2034::AID-CNCR2820531005>3.0.CO;2-S / Cancer / The detection of environmental mutagens and potential carcinogens by Ames (1984)
  24. 10.3109/10408444.2010.494175 / Crit. Rev. Toxicol. / A review of the electrophilic reaction chemistry involved in covalent DNA binding by Enoch (2010)
  25. 10.1021/cr300206t / Chem. Rev. / Nongenotoxic carcinogenicity of chemicals: mechanisms of action and early recognition through a new set of structural alerts by Benigni (2013)
  26. 10.1021/ci300245q / J. Chem. Inf. Model. / ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactions by Sushko (2012)
  27. 10.1186/1752-153X-4-S1-S2 / Chem. Cent. J. / An open source multistep model to predict mutagenicity from statistical analysis and relevant structural alerts by Ferrari (2010)
  28. 10.1021/ci200091h / J. Chem. Inf. Model. / A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition by Novotarskyi (2011)
  29. 10.1016/j.drudis.2014.01.006 / Drug Discov. Today / Addressing toxicity risk when designing and selecting compounds in early drug discovery by Segall (2014)
  30. 10.1021/jm040835a / J. Med. Chem. / Derivation and validation of toxicophores for mutagenicity prediction by Kazius (2005)
  31. 10.1002/qsar.200710118 / QSAR Comb. Sci. / (Q)SARs for predicting effects relating to reproductive toxicity by Cronin (2008)
  32. 10.1021/tx400226u / Chem. Res. Toxicol. / Framework for identifying chemicals with structural features associated with the potential to act as developmental or reproductive toxicants by Wu (2013)
  33. 10.1021/ci9002409 / J. Chem. Inf. Model. / Improving quantitative structure–activity relationships through multiobjective optimization by Nicolotti (2009)
  34. 10.1016/j.jsbmb.2013.04.009 / J. Steroid Biochem. Mol. Biol. / In silico methods in the discovery of endocrine disrupting chemicals by Vuorinen (2013)
  35. 10.1016/j.drudis.2013.01.007 / Drug Discov. Today / The holistic integration of virtual screening in drug discovery by Tanrikulu (2013)
  36. 10.1371/journal.pone.0046958 / PLoS ONE / Virtual screening as a strategy for the identification of xenobiotics disrupting corticosteroid action by Nashev (2012)
  37. 10.1080/1062936X.2013.773375 / SAR QSAR Environ. Res. / Hazard Evaluation Support System (HESS) for predicting repeated dose toxicity using toxicological categories by Sakuratani (2013)
  38. 10.1021/ci8001974 / J. Chem. Inf. Model. / Modeling oral rat chronic toxicity by Mazzatorta (2008)
  39. Gadaleta, D. et al. A k-NN algorithm for predicting the oral sub-chronic toxicity in the rat. ALTEX (in press), http://dx.doi.org/10.14573/altex.1405091. (10.14573/altex.1405091)
  40. 10.1126/science.1154619 / Science / Transforming environmental health protection by Collins (2008)
  41. 10.1021/nn1013484 / ACS Nano / Quantitative nanostructure–activity relationship modeling by Fourches (2010)
  42. 10.1080/1062936X.2013.840679 / SAR QSAR Environ. Res. / Evaluation criteria for the quality of published experimental data on nanomaterials and their usefulness for QSAR modelling by Lubinski (2013)
  43. 10.1093/toxsci/kfh041 / Toxicol. Sci. / Environmental impact of nanotechnology: toxicological assessment of manufactured nanoparticles by Dreher (2004)
  44. 10.1002/smll.200900179 / Small / Toward the development of ‘nano-QSARs’: advances and challenges by Puzyn (2009)
  45. 10.1038/nnano.2011.10 / Nat. Nanotechnol. / Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles by Puzyn (2011)
  46. 10.1021/tx700392b / Chem. Res. Toxicol. / Identification of possible sources of nanotoxicity from carbon nanotubes inserted into membrane bilayers using membrane interaction quantitative structure–activity relationship analysis by Liu (2008)
  47. 10.1021/mp800197v / Mol. Pharm. / Affinity of drugs and small biologically active molecules to carbon nanotubes: a pharmacodynamics and nanotoxicity factor? by Liu (2009)
  48. 10.14573/altex.1305221 / ALTEX / An alternative QSAR-based approach for predicting the bioconcentration factor for regulatory purposes by Gissi (2014)
  49. 10.1177/026119291404200103 / Altern. Lab. Anim. / Experimental and theoretical studies in the EU FP7 Marie Curie Initial Training Network Project, Environmental ChemOinformatics (ECO) by Tetko (2014)
Dates
Type When
Created 11 years, 1 month ago (July 3, 2014, 10:17 a.m.)
Deposited 6 years ago (Aug. 12, 2019, 3:22 a.m.)
Indexed 13 hours, 51 minutes ago (Aug. 23, 2025, 9:13 p.m.)
Issued 10 years, 9 months ago (Nov. 1, 2014)
Published 10 years, 9 months ago (Nov. 1, 2014)
Published Print 10 years, 9 months ago (Nov. 1, 2014)
Funders 0

None

@article{Nicolotti_2014, title={REACH and in silico methods: an attractive opportunity for medicinal chemists}, volume={19}, ISSN={1359-6446}, url={http://dx.doi.org/10.1016/j.drudis.2014.06.027}, DOI={10.1016/j.drudis.2014.06.027}, number={11}, journal={Drug Discovery Today}, publisher={Elsevier BV}, author={Nicolotti, Orazio and Benfenati, Emilio and Carotti, Angelo and Gadaleta, Domenico and Gissi, Andrea and Mangiatordi, Giuseppe Felice and Novellino, Ettore}, year={2014}, month=nov, pages={1757–1768} }