Global mapping of pharmacological space
Data up to Jan 2025
Total Citations Per Year
Abstract
References (55)
Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks
2003 • 41,909 citations
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
2001 • 16,438 citations
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
1997 • 9,861 citations
Molecular Properties That Influence the Oral Bioavailability of Drug Candidates
2002 • 6,592 citations
Drug-like properties and the causes of poor solubility and poor permeability
2000 • 3,405 citations
The druggable genome
2002 • 3,099 citations
Knowledge Discovery in Databases
1991 • 1,804 citations
Database Systems: A Practical Approach to Design, Implementation and Management
1998 • 1,277 citations
An Information-Intensive Approach to the Molecular Pharmacology of Cancer
1997 • 1,177 citations
Magic shotguns versus magic bullets: selectively non-selective drugs for mood disorders and schizophrenia
2004 • 1,111 citations
Knowledge discovery in databases
1992 • 1,063 citations
Simple Selection Criteria for Drug-like Chemical Matter
2001 • 1,003 citations
Navigating chemical space for biology and medicine
2004 • 977 citations
The maximal affinity of ligands
1999 • 817 citations
A Specific Mechanism of Nonspecific Inhibition
2003 • 584 citations
Handbook of Data Mining and Knowledge Discovery
2002 • 549 citations
Functional group contributions to drug-receptor interactions
1984 • 523 citations
A Comparison of Physiochemical Property Profiles of Development and Marketed Oral Drugs
2003 • 515 citations
Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules?
1998 • 470 citations
Chemical genetics: ligand-based discovery of gene function
2000 • 417 citations
Prediction of ‘drug-likeness’
2002 • 406 citations
Handbook of data mining and knowledge discovery
2003 • 374 citations
Characteristic Physical Properties and Structural Fragments of Marketed Oral Drugs
2003 • 353 citations
Selection criteria for drug‐like compounds
2003 • 350 citations
NIH Molecular Libraries Initiative
2004 • 343 citations
Classification of Kinase Inhibitors Using a Bayesian Model
2004 • 340 citations
The Multiplicity of Serotonin Receptors: Uselessly Diverse Molecules or an Embarrassment of Riches?
2000 • 332 citations
Playing dirty
2005 • 326 citations
Using Extended-Connectivity Fingerprints with Laplacian-Modified Bayesian Analysis in High-Throughput Screening Follow-Up
2005 • 284 citations
From Knowing to Controlling: A Path from Genomics to Drugs Using Small Molecule Probes
2003 • 262 citations
Recognizing molecules with drug-like properties
1999 • 261 citations
Drugs, leads, and drug-likeness: an analysis of some recently launched drugs
2002 • 247 citations
Genomic sciences and the medicine of tomorrow
1996 • 240 citations
Selective Optimization of Side Activities: Another Way for Drug Discovery
2004 • 195 citations
Predicting ADME properties and side effects: the BioPrint approach.
2003 • 176 citations
Kinomics—structural biology and chemogenomics of kinase inhibitors and targets
2003 • 175 citations
Drug Development: The role of innovation in drug development
1997 • 172 citations
Kinomics: characterizing the therapeutically validated kinase space
2005 • 158 citations
Drug prototypes and their exploitation
1997 • 147 citations
Molecular properties that influence oral drug-like behavior.
2004 • 100 citations
Biological Mechanism Profiling Using an Annotated Compound Library
2003 • 96 citations
An Ontology for Pharmaceutical Ligands and Its Application for in Silico Screening and Library Design
2002 • 93 citations
Structure-activity relationship homology (SARAH): a conceptual framework for drug discovery in the genomic era
1999 • 93 citations
CO: A chemical ontology for identification of functional groups and semantic comparison of small molecules
2005 • 86 citations
Drug prototypes and their exploitation
1997 • 81 citations
Neighborhood Behavior of in Silico Structural Spaces with Respect to in Vitro Activity Spaces−A Novel Understanding of the Molecular Similarity Principle in the Context of Multiple Receptor Binding Profiles
2003 • 77 citations
Toward Designing Drug-Like Libraries: A Novel Computational Approach for Prediction of Drug Feasibility of Compounds
1999 • 56 citations
Guiding molecules towards drug-likeness.
2002 • 55 citations
Computational methods to estimate drug development parameters.
2001 • 49 citations
Examination of the Computed Molecular Properties of Compounds Selected for Clinical Development
2003 • 36 citations
Classic drug targets
1997 • 28 citations
Annotating and mining the ligand-target chemogenomics knowledge space
2004 • 25 citations
Thirty-three years of drug discovery and research with Dr. Paul Janssen
1986 • 19 citations
Prioritizing the human genome: knowledge management for drug discovery.
2003 • 19 citations
Mining the NCI screening database: explorations of agents involved in cell cycle regulation.
2003 • 6 citations
Cited By (0)
No citing papers found in database