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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

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Global mapping of pharmacological space (2006) – Nature Biotechnology | Metascience Observatory Explorer