A critical assessment of modeling safety-related drug attrition

Inflation of correlation in the pursuit of drug-likeness

(2013) Peter W. Kenny et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Exploiting Pharmacological Similarity to Identify Safety Concerns - Listen to What the Data Tells You

(2013) Daniel Muthas et al.   Molecular Informatics

Can we discover pharmacological promiscuity early in the drug discovery process?

(2012) Jens-Uwe Peters et al.   DRUG DISCOVERY TODAY

Inroads to Predict in Vivo Toxicology—An Introduction to the eTOX Project

(2012) Katharine Briggs et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Comparing Measures of Promiscuity and Exploring Their Relationship to Toxicity

(2012) Xiangyun Wang et al.   Molecular Informatics

Quantifying the chemical beauty of drugs

(2012) G. Richard Bickerton et al.   Nature Chemistry

Reducing safety-related drug attrition: the use of in vitro pharmacological profiling

(2012) Joanne Bowes et al.   NATURE REVIEWS DRUG DISCOVERY

Escape from Flatland 2: complexity and promiscuity

(2012) Frank Lovering   MedChemComm

Strategies to improve in vivo toxicology outcomes for basic candidate drug molecules

(2011) Tim Luker et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Exploiting personalized information for reagent selection in drug design

(2011) Jonas Boström et al.   DRUG DISCOVERY TODAY

Computational methods for early predictive safety assessment from biological and chemical data

(2011) Florian Nigsch et al.   Expert Opinion on Drug Metabolism & Toxicology

The influence of the 'organizational factor' on compound quality in drug discovery

(2011) Paul D. Leeson et al.   NATURE REVIEWS DRUG DISCOVERY

ChEMBL: a large-scale bioactivity database for drug discovery

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

Application of Data Mining and Visualization Techniques for the Prediction of Drug-Induced Nausea in Man

(2011) Joanna Parkinson et al.   TOXICOLOGICAL SCIENCES

Pharmacological Promiscuity: Dependence on Compound Properties and Target Specificity in a Set of Recent Roche Compounds

(2009) Jens-Uwe Peters et al.   ChemMedChem

Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success

(2009) Frank Lovering et al.   JOURNAL OF MEDICINAL CHEMISTRY

A framework to assess the translation of safety pharmacology data to humans

(2009) Jean-Pierre Valentin et al.   JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS

Physiochemical drug properties associated with in vivo toxicological outcomes

(2008) Jason D. Hughes et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Generation of a Set of Simple, Interpretable ADMET Rules of Thumb

(2008) M. Paul Gleeson   JOURNAL OF MEDICINAL CHEMISTRY