DOI: 10.1016/j.drudis.2014.01.006. Addressing toxicity risk when designing and selecting compounds in early drug discovery

Addressing toxicity risk when designing and selecting compounds in early drug discovery

10.1016/j.drudis.2014.01.006

Crossref journal-article

Elsevier BV

Drug Discovery Today (78)

Bibliography

Segall, M. D., & Barber, C. (2014). Addressing toxicity risk when designing and selecting compounds in early drug discovery. Drug Discovery Today, 19(5), 688â693.

Authors 2

Matthew D. Segall (first)
Chris Barber (additional)

References 30 Referenced 142

CMR International Global R&D Performance Metrics programme, CMR International, a Thomson Reuters business.
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10.1001/jama.287.17.2215 / JAMA / Timing of new black box warnings and withdrawals for prescription medications by Lasser (2002)
10.1016/S1359-6446(97)01099-4 / Drug Discov. Today / Managing the drug discovery/development interface by Kennedy (1997)
10.1016/S1367-5931(98)80017-3 / Curr. Opin. Chem. Biol. / High-throughput approaches for evaluating absorption, distribution, metabolism and excretion properties of lead compounds by Tarbit (1998)
10.1038/nrd1032 / Nat. Rev. Drug Discov. / ADMET in silico modelling: towards prediction paradise? by Van de Waterbeemd (2003)
10.1023/A:1020816005910 / J. Comput. Aided Mol. Des. / Towards a new age of virtual ADME/TOX and multidimensional drug discovery by Ekins (2001)
10.1038/nrd1470 / Nat. Rev. Drug Discov. / Can the pharmaceutical industry reduce attrition rates by Kola (2004)
{'key': '10.1016/j.drudis.2014.01.006_bib0045', 'first-page': '223', 'article-title': 'The development and validation of expert systems for predicting toxicity: the report and recommendations of an ECVAM/ECB workshop (ECVAM Workshop 24)', 'volume': '25', 'author': 'Dearden', 'year': '1997', 'journal-title': 'ATLA'} / ATLA / The development and validation of expert systems for predicting toxicity: the report and recommendations of an ECVAM/ECB workshop (ECVAM Workshop 24) by Dearden (1997)
10.1016/j.coph.2013.06.001 / Curr. Opin. Pharmacol. / In silico methods to predict drug toxicity by Roncaglioni (2013)
10.1021/ci050375+ / J. Chem. Inf. Model. / Ensemble of linear models for predicting drug properties by Arodz (2006)
10.1021/ci700350n / J. Chem. Inf. Model. / How to winnow actives from inactives: introducing molecular orthogonal sparse bigrams (MOSBs) and multiclass Winnow by Nigsch (2008)
10.1021/ci800079x / J. Chem. Inf. Model. / Ligand–target prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics by Nigsch (2008)
{'key': '10.1016/j.drudis.2014.01.006_bib0070', 'article-title': 'Recent trends in statistical QSAR modeling of environmental chemical toxicity', 'volume': 'Vol. 3', 'author': 'Tropsha', 'year': '2012'} / Recent trends in statistical QSAR modeling of environmental chemical toxicity by Tropsha (2012)
10.1080/10629369908039182 / SAR QSAR Environ. Res. / Knowledge-based expert systems for toxicity and metabolism prediction: DEREK, StAR and METEOR by Greene (1999)
10.1023/A:1025361621494 / J. Comput. Aided Mol. Des. / In silico prediction of drug toxicity by Dearden (2003)
{'year': '2010', 'series-title': 'In Silico Toxicology: Principles and Application', 'key': '10.1016/j.drudis.2014.01.006_bib0085'} / In Silico Toxicology: Principles and Application (2010)
10.1016/S0169-409X(02)00012-1 / Adv. Drug Deliv. Rev. / Computer systems for the prediction of toxicity: an update by Greene (2002)
10.1002/etc.34 / Environ. Toxicol. Chem. / Adverse outcome pathways: a conceptual framework to support ecotoxicology research and risk assessment by Ankley (2010)
10.1080/15376510701857320 / Toxicol. Mech. Methods / In silico tools for sharing data and knowledge on toxicity and metabolism: Derek for windows, Meteor, and Vitic by Marchant (2008)
10.1039/C2TX20037F / Toxicol. Res. / Assessing confidence in predictions made by knowledge-based systems by Judson (2013)
10.1016/j.yrtph.2013.05.001 / Regul. Toxicol. Pharmacol. / Use of in silico systems and expert knowledge for structure-based assessment of potentially mutagenic impurities by Sutter (2013)
10.1016/j.yrtph.2012.01.007 / Regul. Toxicol. Pharmacol. / In silico methods combined with expert knowledge rule out mutagenic potential of pharmaceutical impurities: an industry survey by Dobo (2012)
10.2174/138161212799436430 / Curr. Pharm. Des. / Multi-parameter optimization: identifying high quality compounds with a balance of properties by Segall (2012)
10.1517/17425255.2.2.325 / Expert Opin. Drug Metab. Toxicol. / Focus on success: using in silico optimisation to achieve an optimal balance of properties by Segall (2006)
10.1016/j.pupt.2012.02.002 / Pulm. Pharmacol. Ther. / Safety and pharmacokinetics of multiple doses of aclidinium bromide administered twice daily in healthy volunteers by Lasseter (2012)
10.1073/pnas.0813371106 / Proc. Natl. Acad. Sci. U. S. A. / Circulating microRNAs, potential biomarkers for drug-induced liver injury by Wang (2009)
10.1093/toxsci/kfq258 / Toxicol. Sci. / Identification of a kinase profile that predicts chromosome damage induced by small molecule kinase inhibitors by Olaharski (2010)
10.1186/ar1704 / Arthritis Res. Ther. / Tolerability and adverse events in clinical trials of celecoxib in osteoarthritis and rheumatoid arthritis: systematic review and meta-analysis of information from company clinical trial reports by Moore (2005)
10.1126/science.132.3434.1115 / Science / A computer program for classifying plants by Rogers (1960)

Dates

Type	When
Created	11 years, 7 months ago (Jan. 19, 2014, 7:30 a.m.)
Deposited	6 years ago (Aug. 6, 2019, 12:24 p.m.)
Indexed	2 weeks, 4 days ago (Aug. 6, 2025, 8:26 a.m.)
Issued	11 years, 3 months ago (May 1, 2014)
Published	11 years, 3 months ago (May 1, 2014)
Published Print	11 years, 3 months ago (May 1, 2014)

Funders 0

None

BibTeX

@article{Segall_2014, title={Addressing toxicity risk when designing and selecting compounds in early drug discovery}, volume={19}, ISSN={1359-6446}, url={http://dx.doi.org/10.1016/j.drudis.2014.01.006}, DOI={10.1016/j.drudis.2014.01.006}, number={5}, journal={Drug Discovery Today}, publisher={Elsevier BV}, author={Segall, Matthew D. and Barber, Chris}, year={2014}, month=may, pages={688–693} }

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