- Home
- Publications
- Publication Search
- Publication Details
Title
The enumeration of chemical space
Authors
Keywords
-
Journal
Wiley Interdisciplinary Reviews-Computational Molecular Science
Volume 2, Issue 5, Pages 717-733
Publisher
Wiley
Online
2012-04-19
DOI
10.1002/wcms.1104
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- What we have learned from crystal structures of proteins to receptor function
- (2011) J.-L. Reymond et al. BIOCHEMICAL PHARMACOLOGY
- Exploring the Chemical Space of Known and Unknown Organic Small Molecules at www.gdb.unibe.ch
- (2011) Jean-Louis Reymond et al. CHIMIA
- Recent trends and observations in the design of high-quality screening collections
- (2011) Steffen Renner et al. Future Medicinal Chemistry
- Discovery of α7-Nicotinic Receptor Ligands by Virtual Screening of the Chemical Universe Database GDB-13
- (2011) Lorenz C. Blum et al. Journal of Chemical Information and Modeling
- Development of a Method To Consistently Quantify the Structural Distance between Scaffolds and To Assess Scaffold Hopping Potential
- (2011) Ruifang Li et al. Journal of Chemical Information and Modeling
- CrystalDock: A Novel Approach to Fragment-Based Drug Design
- (2011) Jacob D. Durrant et al. Journal of Chemical Information and Modeling
- LigBuilder 2: A Practicalde NovoDrug Design Approach
- (2011) Yaxia Yuan et al. Journal of Chemical Information and Modeling
- Visualisation and subsets of the chemical universe database GDB-13 for virtual screening
- (2011) Lorenz C. Blum et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem
- (2011) Ruud van Deursen et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- The polyhex/polypent topological paradigm: regularities in the isomer numbers and topological properties of select subclasses of benzenoid hydrocarbons and related systems
- (2010) Jerry Ray Dias CHEMICAL SOCIETY REVIEWS
- Cheminformatics approaches to analyze diversity in compound screening libraries
- (2010) Lakshmi B Akella 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
- NovoFLAP: A Ligand-Based De Novo Design Approach for the Generation of Medicinally Relevant Ideas
- (2010) James R. Damewood 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
- A Medicinal Chemist’s Guide to Molecular Interactions
- (2010) Caterina Bissantz et al. JOURNAL OF MEDICINAL CHEMISTRY
- PhDD: A new pharmacophore-based de novo design method of drug-like molecules combined with assessment of synthetic accessibility
- (2010) Qi Huang et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- The Comparative Toxicogenomics Database: update 2011
- (2010) A. P. Davis et al. NUCLEIC ACIDS RESEARCH
- e-LEA3D: a computational-aided drug design web server
- (2010) D. Douguet NUCLEIC ACIDS RESEARCH
- DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs
- (2010) C. Knox et al. NUCLEIC ACIDS RESEARCH
- Chemical space as a source for new drugs
- (2010) Jean-Louis Reymond et al. MedChemComm
- 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
- Icon of Chemistry: The Periodic System of Chemical Elements in the New Century
- (2009) Shu-Guang Wang et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- 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
- AutoGrow: A Novel Algorithm for Protein Inhibitor Design
- (2009) Jacob D. Durrant et al. Chemical Biology & Drug Design
- 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
- Novel trends in high-throughput screening
- (2009) Lorenz M Mayr et al. CURRENT OPINION IN PHARMACOLOGY
- Computational Fragment-Based Approach at PDB Scale by Protein Local Similarity
- (2009) Fabrice Moriaud et al. Journal of Chemical Information and Modeling
- FOG: Fragment Optimized Growth Algorithm for thede NovoGeneration of Molecules Occupying Druglike Chemical Space
- (2009) Peter S. Kutchukian et al. Journal of Chemical Information and Modeling
- A NovelIn SilicoApproach to Drug Discovery via Computational Intelligence
- (2009) David Hecht et al. Journal of Chemical Information and Modeling
- Fragment Shuffling: An Automated Workflow for Three-Dimensional Fragment-Based Ligand Design
- (2009) Britta Nisius et al. Journal of Chemical Information and Modeling
- De Novo Drug Design Using Multiobjective Evolutionary Graphs
- (2009) Christos A. Nicolaou et al. Journal of Chemical Information and Modeling
- Comparison of Nonbinary Similarity Coefficients for Similarity Searching, Clustering and Compound Selection
- (2009) Aysha Al Khalifa et al. Journal of Chemical Information and Modeling
- Knowledge-Based Approach tode NovoDesign Using Reaction Vectors
- (2009) Hina Patel et al. Journal of Chemical Information and Modeling
- LoFT: Similarity-Driven Multiobjective Focused Library Design
- (2009) J. Robert Fischer et al. Journal of Chemical Information and Modeling
- ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI)
- (2009) Wendy A. Warr JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Novel Chemical Space Exploration via Natural Products
- (2009) Josefin Rosén et al. JOURNAL OF MEDICINAL CHEMISTRY
- 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
- Bioactivity-guided mapping and navigation of chemical space
- (2009) Steffen Renner et al. Nature Chemical Biology
- Interactive exploration of chemical space with Scaffold Hunter
- (2009) Stefan Wetzel et al. Nature Chemical Biology
- SMPDB: The Small Molecule Pathway Database
- (2009) Alex Frolkis et al. NUCLEIC ACIDS RESEARCH
- PubChem: a public information system for analyzing bioactivities of small molecules
- (2009) Y. Wang et al. NUCLEIC ACIDS RESEARCH
- Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream
- (2009) Mikhail Elyashberg et al. Journal of Cheminformatics
- Concept of CombinatorialDe NovoDesign of Drug-like Molecules by Particle Swarm Optimization
- (2008) Markus Hartenfeller et al. Chemical Biology & Drug Design
- Discovery of NMDA Glycine Site Inhibitors from the Chemical Universe Database GDB
- (2008) Kong Thong Nguyen et al. ChemMedChem
- From Molecular Shape to Potent Bioactive Agents II: Fragment-Based de novo Design
- (2008) Ewgenij Proschak et al. ChemMedChem
- Scaffold Topologies. 2. Analysis of Chemical Databases
- (2008) Michael J. Wester et al. Journal of Chemical Information and Modeling
- Scaffold Topologies. 1. Exhaustive Enumeration up to Eight Rings
- (2008) Sara N. Pollock et al. Journal of Chemical Information and Modeling
- Fragment-Based de Novo Ligand Design by Multiobjective Evolutionary Optimization
- (2008) Fabian Dey et al. Journal of Chemical Information and Modeling
- Similarity Searching and Scaffold Hopping in Synthetically Accessible Combinatorial Chemistry Spaces
- (2008) Markus Boehm et al. JOURNAL OF MEDICINAL CHEMISTRY
- HMDB: a knowledgebase for the human metabolome
- (2008) D. S. Wishart et al. NUCLEIC ACIDS RESEARCH
- The use of ligand-based de novo design for scaffold hopping and sidechain optimization: Two case studies
- (2007) Miklos Feher et al. BIOORGANIC & MEDICINAL CHEMISTRY
Become a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get StartedAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started