Insights into the impact of N- and O-methylation on aqueous solubility and lipophilicity using matched molecular pair analysis

Understanding Our Love Affair with p-Chlorophenyl: Present Day Implications from Historical Biases of Reagent Selection

(2015) Dean G. Brown et al.   JOURNAL OF MEDICINAL CHEMISTRY

Matched Molecular Pair Analysis: Significance and the Impact of Experimental Uncertainty

(2014) Christian Kramer et al.   JOURNAL OF MEDICINAL CHEMISTRY

N-Methylanilide and N-methylbenzamide derivatives as phosphodiesterase 10A (PDE10A) inhibitors

(2013) John Paul Kilburn et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Matched Molecular Pair Analysis in drug discovery

(2013) Alexander G. Dossetter et al.   DRUG DISCOVERY TODAY

Inflation of correlation in the pursuit of drug-likeness

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

Integrating Intramolecular Hydrogen Bonding (IMHB) Considerations in Drug Discovery Using ΔlogP As a Tool

(2013) Marina Shalaeva et al.   JOURNAL OF MEDICINAL CHEMISTRY

Enantioselective fluoride ring opening of aziridines enabled by cooperative Lewis acid catalysis

(2013) Julia A. Kalow et al.   TETRAHEDRON

Advances in Computational Medicinal Chemistry: Matched Molecular Pair Analysis

(2012) Anne Mai Wassermann et al.   DRUG DEVELOPMENT RESEARCH

Design and Preparation of a Potent Series of Hydroxyethylamine Containing β-Secretase Inhibitors That Demonstrate Robust Reduction of Central β-Amyloid

(2012) Matthew M. Weiss et al.   JOURNAL OF MEDICINAL CHEMISTRY

Predicting and Improving the Membrane Permeability of Peptidic Small Molecules

(2012) Salma B. Rafi et al.   JOURNAL OF MEDICINAL CHEMISTRY

A matched molecular pair analysis of in vitro human microsomal metabolic stability measurements for heterocyclic replacements of di-substituted benzene containing compounds – identification of those isosteres more likely to have beneficial effects

(2012) Alexander G. Dossetter et al.   MedChemComm

Extraction of tacit knowledge from large ADME data sets via pairwise analysis

(2011) Christopher E. Keefer et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Deep understanding of structure–solubility relationship for a diverse set of organic compounds using matched molecular pairs

(2011) Liying Zhang et al.   BIOORGANIC & MEDICINAL CHEMISTRY

hNK2 receptor antagonists. The use of intramolecular hydrogen bonding to increase solubility and membrane permeability

(2011) Alessandro Ettorre et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Matched Molecular Pairs as a Medicinal Chemistry Tool

(2011) Ed Griffen et al.   JOURNAL OF MEDICINAL CHEMISTRY

A statistical analysis of in vitro human microsomal metabolic stability of small phenyl group substituents, leading to improved design sets for parallel SAR exploration of a chemical series

(2010) Alexander G. Dossetter   BIOORGANIC & MEDICINAL CHEMISTRY

WizePairZ: A Novel Algorithm to Identify, Encode, and Exploit Matched Molecular Pairs with Unspecified Cores in Medicinal Chemistry

(2010) Daniel J. Warner et al.   Journal of Chemical Information and Modeling

Computationally Efficient Algorithm to Identify Matched Molecular Pairs (MMPs) in Large Data Sets

(2010) Jameed Hussain et al.   Journal of Chemical Information and Modeling

Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity

(2010) George Papadatos et al.   Journal of Chemical Information and Modeling

Intramolecular Hydrogen Bonding in Medicinal Chemistry

(2010) Bernd Kuhn et al.   JOURNAL OF MEDICINAL CHEMISTRY

ADMET rules of thumb II: A comparison of the effects of common substituents on a range of ADMET parameters

(2009) Paul Gleeson et al.   BIOORGANIC & MEDICINAL CHEMISTRY

A structural systematic study of three isomers of difluoro-N-(4-pyridyl)benzamide

(2008) Joyce McMahon et al.   ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

2′-Fluoro-3′,5′-dimethoxyacetanilide

(2008) Kai Xie et al.   ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE

Matched molecular pair analysis of activity and properties of glycogen phosphorylase inhibitors

(2008) Alan M. Birch et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Evaluation of the interchangeability of C–H and C–F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides

(2007) Deepak Chopra et al.   CRYSTENGCOMM