Probing the links between in vitro potency, ADMET and physicochemical parameters

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

(2010) Denis Fourches et al.   Journal of Chemical Information and Modeling

An Analysis of the Binding Efficiencies of Drugs and Their Leads in Successful Drug Discovery Programs

(2010) Emanuele Perola   JOURNAL OF MEDICINAL CHEMISTRY

Reaching Out to Collaborators: Crowdsourcing for Pharmaceutical Research

(2010) Sean Ekins et al.   PHARMACEUTICAL RESEARCH

Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds

(2009) Christian Tyrchan et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Using the Golden Triangle to optimize clearance and oral absorption

(2009) Ted W. Johnson et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Defining optimum lipophilicity and molecular weight ranges for drug candidates—Molecular weight dependent lower logD limits based on permeability

(2009) Michael J. Waring   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

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

(2009) Jens-Uwe Peters et al.   ChemMedChem

Receptor Occupancy and Brain Free Fraction

(2009) J. Watson et al.   DRUG METABOLISM AND DISPOSITION

Structure and organization of drug-target networks: insights from genomic approaches for drug discovery

(2009) Sarath Chandra Janga et al.   Molecular BioSystems

The influence of lead discovery strategies on the properties of drug candidates

(2009) György M. Keserü et al.   NATURE REVIEWS DRUG DISCOVERY

Assessment of the blood–brain barrier in CNS drug discovery

(2009) Phil Jeffrey et al.   NEUROBIOLOGY OF DISEASE

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

(2008) M. Paul Gleeson   JOURNAL OF MEDICINAL CHEMISTRY

Network pharmacology: the next paradigm in drug discovery

(2008) Andrew L Hopkins   Nature Chemical Biology

Are the Chemical Structures in Your QSAR Correct?

(2008) Douglas Young et al.   Quantitative structure-activity relationships & combinatorial science