Large-scale exploration of bioisosteric replacements on the basis of matched molecular pairs

In Silico Techniques for the Identification of Bioisosteric Replacements for Drug Design

(2010) Mike Devereux et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Chemical Substitutions That Introduce Activity Cliffs Across Different Compound Classes and Biological Targets

(2010) Anne Mai Wassermann 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

Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization

(2010) Sarah R. Langdon et al.   Molecular Informatics

Quantum Isostere Database: A Web-Based Tool Using Quantum Chemical Topology To Predict Bioisosteric Replacements for Drug Design

(2009) Mike Devereux et al.   Journal of Chemical Information and Modeling

The Universal Protein Resource (UniProt) in 2010

(2009)   NUCLEIC ACIDS RESEARCH