How Consistent are Publicly Reported Cytotoxicity Data? Large-Scale Statistical Analysis of the Concordance of Public Independent Cytotoxicity Measurements

Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel

(2015) Isidro Cortés-Ciriano et al.   BIOINFORMATICS

Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets

(2015) Isidro Cortes-Ciriano et al.   Journal of Chemical Information and Modeling

Beware of R2: Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models

(2015) D. L. J. Alexander et al.   Journal of Chemical Information and Modeling

Prediction of human population responses to toxic compounds by a collaborative competition

(2015) Federica Eduati et al.   NATURE BIOTECHNOLOGY

Curation of chemogenomics data

(2015) Denis Fourches et al.   Nature Chemical Biology

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

(2015) Isidro Cortés-Ciriano et al.   MedChemComm

The evolving role of cancer cell line-based screens to define the impact of cancer genomes on drug response

(2014) Mathew J Garnett et al.   CURRENT OPINION IN GENETICS & DEVELOPMENT

How Experimental Errors Influence Drug Metabolism and Pharmacokinetic QSAR/QSPR Models

(2014) Mark C. Wenlock et al.   Journal of Chemical Information and Modeling

An Interactive Resource to Identify Cancer Genetic and Lineage Dependencies Targeted by Small Molecules

(2013) Amrita Basu et al.   CELL

Estimating Error Rates in Bioactivity Databases

(2013) Pekka Tiikkainen et al.   Journal of Chemical Information and Modeling

The Clinical Relevance of Cancer Cell Lines

(2013) J.-P. Gillet et al.   JNCI-Journal of the National Cancer Institute

Discrepancies in drug sensitivity

(2013) John N. Weinstein et al.   NATURE

Inconsistency in large pharmacogenomic studies

(2013) Benjamin Haibe-Kains et al.   NATURE

Metrics other than potency reveal systematic variation in responses to cancer drugs

(2013) Mohammad Fallahi-Sichani et al.   Nature Chemical Biology

Machine Learning Prediction of Cancer Cell Sensitivity to Drugs Based on Genomic and Chemical Properties

(2013) Michael P. Menden et al.   PLoS One

Comparability of Mixed IC50 Data – A Statistical Analysis

(2013) Tuomo Kalliokoski et al.   PLoS One

Evaluating cell lines as tumour models by comparison of genomic profiles

(2013) Silvia Domcke et al.   Nature Communications

QSARs, Data and Error in the Modern Age of Drug Discovery

(2012) Christian Kramer et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Design and synthesis of novel magnolol derivatives as potential antimicrobial and antiproliferative compounds

(2012) Srinivas Jada et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

The Experimental Uncertainty of Heterogeneous Public Ki Data

(2012) Christian Kramer et al.   JOURNAL OF MEDICINAL CHEMISTRY

Systematic identification of genomic markers of drug sensitivity in cancer cells

(2012) Mathew J. Garnett et al.   NATURE

The Cancer Cell Line Encyclopedia enables predictive modelling of anticancer drug sensitivity

(2012) Jordi Barretina et al.   NATURE

Cell lines battle cancer

(2012) John N. Weinstein   NATURE

Genomics of Drug Sensitivity in Cancer (GDSC): a resource for therapeutic biomarker discovery in cancer cells

(2012) Wanjuan Yang et al.   NUCLEIC ACIDS RESEARCH

New class azaphilone produced by a marine fish-derived Chaetomium globosum. The stereochemistry and biological activities

(2011) Takeshi Yamada et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Synthesis and biological evaluation of unsaturated keto and exomethylene d-arabinopyranonucleoside analogs: Novel 5-fluorouracil analogs that target thymidylate synthase

(2011) Niki Tzioumaki et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Synthesis and biological evaluation of conjugates of deoxypodophyllotoxin and 5-FU as inducer of caspase-3 and -7

(2011) Wen-Ting Huang et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Design, Synthesis, Biological Evaluation, and Structure–Activity Relationships of Substituted Phenyl 4-(2-Oxoimidazolidin-1-yl)benzenesulfonates as New Tubulin Inhibitors Mimicking Combretastatin A-4

(2011) Sébastien Fortin et al.   JOURNAL OF MEDICINAL CHEMISTRY

Isolation and Biological Evaluation of Jatrophane Diterpenoids fromEuphorbia dendroides

(2011) Ivana S. Aljančić et al.   JOURNAL OF NATURAL PRODUCTS

Cell death assays for drug discovery

(2011) Oliver Kepp et al.   NATURE REVIEWS DRUG DISCOVERY

ChEMBL: a large-scale bioactivity database for drug discovery

(2011) A. Gaulton et al.   NUCLEIC ACIDS RESEARCH

Redefining the relevance of established cancer cell lines to the study of mechanisms of clinical anti-cancer drug resistance

(2011) J.-P. Gillet et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Cytotoxicity of Cu(II) and Zn(II) 2,2′-Bipyridyl Complexes: Dependence of IC50on Recovery Time

(2010) Yi Shi et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Discrepancies between metabolic activity and DNA content as tool to assess cell proliferation in cancer research

(2010) Verena M.C. Quent et al.   JOURNAL OF CELLULAR AND MOLECULAR MEDICINE

Toxicogenomic profiling of chemically exposed humans in risk assessment

(2010) Cliona M. McHale et al.   MUTATION RESEARCH-REVIEWS IN MUTATION RESEARCH

How accurate are cancer cell lines?

(2010) Brendan Borrell   NATURE

Genomic instability — an evolving hallmark of cancer

(2010) Simona Negrini et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Guidelines for accurate EC50/IC50 estimation

(2010) J. L. Sebaugh   PHARMACEUTICAL STATISTICS

Healthy skepticism: assessing realistic model performance

(2009) Scott P. Brown et al.   DRUG DISCOVERY TODAY

Methoxylation of 3′,4′-aromatic side chains improves P-glycoprotein inhibitory and multidrug resistance reversal activities of 7,8-pyranocoumarin against cancer cells

(2008) Wang-Fun Fong et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Comparison of four different colorimetric and fluorometric cytotoxicity assays in a zebrafish liver cell line

(2008) Stephanie K Bopp et al.   BMC Pharmacology & Toxicology