Visualisation and subsets of the chemical universe database GDB-13 for virtual screening

Cheminformatics approaches to analyze diversity in compound screening libraries

(2010) Lakshmi B Akella et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Drugging challenging targets using fragment-based approaches

(2010) Anthony G Coyne et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation

(2010) Hanna Geppert et al.   Journal of Chemical Information and Modeling

A Searchable Map of PubChem

(2010) Ruud van Deursen et al.   Journal of Chemical Information and Modeling

Identification of Selective Norbornane-Type Aspartate Analogue Inhibitors of the Glutamate Transporter 1 (GLT-1) from the Chemical Universe Generated Database (GDB)

(2010) Erika Luethi et al.   JOURNAL OF MEDICINAL CHEMISTRY

Molecular Shape and Medicinal Chemistry: A Perspective

(2010) Anthony Nicholls et al.   JOURNAL OF MEDICINAL CHEMISTRY

Chemical space as a source for new drugs

(2010) Jean-Louis Reymond et al.   MedChemComm

Design of a High Fragment Efficiency Library by Molecular Graph Theory

(2010) Jennifer Venhorst et al.   ACS Medicinal Chemistry Letters

Exploring α7-Nicotinic Receptor Ligand Diversity by Scaffold Enumeration from the Chemical Universe Database GDB

(2010) Noemi Garcia-Delgado et al.   ACS Medicinal Chemistry Letters

3-(Aminomethyl)piperazine-2,5-dione as a novel NMDA glycine site inhibitor from the chemical universe database GDB

(2009) Kong Thong Nguyen et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Classification of Organic Molecules by Molecular Quantum Numbers

(2009) Kong T. Nguyen et al.   ChemMedChem

Docking and chemoinformatic screens for new ligands and targets

(2009) Peter Kolb et al.   CURRENT OPINION IN BIOTECHNOLOGY

Recent progress in fragment-based lead discovery

(2009) Michèle N Schulz et al.   CURRENT OPINION IN PHARMACOLOGY

Comparison of Nonbinary Similarity Coefficients for Similarity Searching, Clustering and Compound Selection

(2009) Aysha Al Khalifa et al.   Journal of Chemical Information and Modeling

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

(2009) Lorenz C. Blum et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

PubChem: a public information system for analyzing bioactivities of small molecules

(2009) Y. Wang et al.   NUCLEIC ACIDS RESEARCH

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

(2009) Peter Ertl et al.   Journal of Cheminformatics

Discovery of NMDA Glycine Site Inhibitors from the Chemical Universe Database GDB

(2008) Kong Thong Nguyen et al.   ChemMedChem