The Role of Chemogenomics in the Pharmaceutical Industry

Exploring Activity Cliffs in Medicinal Chemistry

(2012) Dagmar Stumpfe et al.   JOURNAL OF MEDICINAL CHEMISTRY

Drug Design of GPCR Ligands Using Physicogenetics and Chemogenomics - Principles and Case Studies

(2011) Thomas M. Frimurer et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Chemogenomics Approaches for Receptor Deorphanization and Extensions of the Chemogenomics Concept to Phenotypic Space

(2011) Eelke van der Horst et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Quantitative Chemogenomics: Machine-Learning Models of Protein-Ligand Interaction

(2011) Claes R. Andersson et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Chemogenomic Approaches for the Exploration of GPCR Space

(2011) Nathanael Weill   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Thematic Analysis™ : A Chemogenomic Approach to GPCR Drug Discovery

(2011) Roger Crossley et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

From in silico target prediction to multi-target drug design: Current databases, methods and applications

(2011) Alexios Koutsoukas et al.   Journal of Proteomics

Impact of high-throughput screening in biomedical research

(2011) Ricardo Macarron et al.   NATURE REVIEWS DRUG DISCOVERY

Computational chemogenomics

(2011) Edgar Jacoby   Wiley Interdisciplinary Reviews-Computational Molecular Science

Drug Discovery Using Chemical Systems Biology: Weak Inhibition of Multiple Kinases May Contribute to the Anti-Cancer Effect of Nelfinavir

(2011) Li Xie et al.   PLoS Computational Biology

The Chemical Basis of Pharmacology

(2010) Michael J. Keiser et al.   BIOCHEMISTRY

A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization

(2010) Eelke van der Horst et al.   BMC BIOINFORMATICS

In Silico Prediction of Binding Sites on Proteins

(2010) Simon Leis et al.   CURRENT MEDICINAL CHEMISTRY

In silico structure-activity-relationship (SAR) models from machine learning: a review

(2010) Xia Ning et al.   DRUG DEVELOPMENT RESEARCH

Prediction of protein–ligand binding affinity by free energy simulations: assumptions, pitfalls and expectations

(2010) Julien Michel et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Structure-Based Approaches to Target Fishing and Ligand Profiling

(2010) Didier Rognan   Molecular Informatics

Zebrafish Behavioral Profiling Links Drugs to Biological Targets and Rest/Wake Regulation

(2010) J. Rihel et al.   SCIENCE

Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets

(2010) Gerard J. P. van Westen et al.   MedChemComm

A Multidimensional Strategy to Detect Polypharmacological Targets in the Absence of Structural and Sequence Homology

(2010) Jacob D. Durrant et al.   PLoS Computational Biology

A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery

(2009) L. Xie et al.   BIOINFORMATICS

Development and Validation of a Novel Protein−Ligand Fingerprint To Mine Chemogenomic Space: Application to G Protein-Coupled Receptors and Their Ligands

(2009) Nathanael Weill et al.   Journal of Chemical Information and Modeling

Definition of the G Protein-Coupled Receptor Transmembrane Bundle Binding Pocket and Calculation of Receptor Similarities for Drug Design

(2009) David E. Gloriam et al.   JOURNAL OF MEDICINAL CHEMISTRY

The topology of drug–target interaction networks: implicit dependence on drug properties and target families

(2009) Jordi Mestres et al.   Molecular BioSystems

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

Virtual screening of GPCRs: An in silico chemogenomics approach

(2008) Laurent Jacob et al.   BMC BIOINFORMATICS

Recent Developments in Fragment-Based Drug Discovery

(2008) Miles Congreve et al.   JOURNAL OF MEDICINAL CHEMISTRY

Network pharmacology: the next paradigm in drug discovery

(2008) Andrew L Hopkins   Nature Chemical Biology