Published in Science on November 12, 2004
PubChem: a public information system for analyzing bioactivities of small molecules. Nucleic Acids Res (2009) 11.05
Quantitative high-throughput screening: a titration-based approach that efficiently identifies biological activities in large chemical libraries. Proc Natl Acad Sci U S A (2006) 9.92
An overview of the PubChem BioAssay resource. Nucleic Acids Res (2009) 4.75
PubChem as a public resource for drug discovery. Drug Discov Today (2010) 3.40
Identification of oxadiazoles as new drug leads for the control of schistosomiasis. Nat Med (2008) 2.90
Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research. J Chem Inf Model (2010) 2.86
The toxicity data landscape for environmental chemicals. Environ Health Perspect (2008) 2.68
Systems chemical biology. Nat Chem Biol (2007) 2.35
MSEA: a web-based tool to identify biologically meaningful patterns in quantitative metabolomic data. Nucleic Acids Res (2010) 2.32
Drugging the PI3 kinome: from chemical tools to drugs in the clinic. Cancer Res (2010) 2.30
A crowdsourcing evaluation of the NIH chemical probes. Nat Chem Biol (2009) 2.29
Dark chemical matter as a promising starting point for drug lead discovery. Nat Chem Biol (2015) 2.18
Systems biology in immunology: a computational modeling perspective. Annu Rev Immunol (2011) 2.15
BioAssay Ontology (BAO): a semantic description of bioassays and high-throughput screening results. BMC Bioinformatics (2011) 2.13
Probing the probes: fitness factors for small molecule tools. Chem Biol (2010) 2.08
Retracted A High-Throughput Screening-Compatible Strategy for the Identification of Inositol Pyrophosphate Kinase Inhibitors. PLoS One (2016) 2.02
Combination chemical genetics. Nat Chem Biol (2008) 1.98
A robotic platform for quantitative high-throughput screening. Assay Drug Dev Technol (2008) 1.90
Apparent activity in high-throughput screening: origins of compound-dependent assay interference. Curr Opin Chem Biol (2010) 1.76
Drug Repurposing from an Academic Perspective. Drug Discov Today Ther Strateg (2011) 1.68
Cure therapeutics and strategic prevention: raising the bar for mental health research. Mol Psychiatry (2006) 1.64
Compound prioritization methods increase rates of chemical probe discovery in model organisms. Chem Biol (2011) 1.64
Evaluation of substituted N,N'-diarylsulfonamides as activators of the tumor cell specific M2 isoform of pyruvate kinase. J Med Chem (2010) 1.61
Quantitative high-throughput screen identifies inhibitors of the Schistosoma mansoni redox cascade. PLoS Negl Trop Dis (2008) 1.58
ChemMine. A compound mining database for chemical genomics. Plant Physiol (2005) 1.56
ChemMine tools: an online service for analyzing and clustering small molecules. Nucleic Acids Res (2011) 1.56
A safe lithium mimetic for bipolar disorder. Nat Commun (2013) 1.51
Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. J Med Chem (2010) 1.45
Integration of metabolic databases for the reconstruction of genome-scale metabolic networks. BMC Syst Biol (2010) 1.44
BioAssay ontology annotations facilitate cross-analysis of diverse high-throughput screening data sets. J Biomol Screen (2011) 1.44
Distributed Drug Discovery, Part 1: linking academia and combinatorial chemistry to find drug leads for developing world diseases. J Comb Chem (2009) 1.43
The future of toxicity testing: a focus on in vitro methods using a quantitative high-throughput screening platform. Drug Discov Today (2010) 1.43
A survey of across-target bioactivity results of small molecules in PubChem. Bioinformatics (2009) 1.39
Associating Drugs, Targets and Clinical Outcomes into an Integrated Network Affords a New Platform for Computer-Aided Drug Repurposing. Mol Inform (2011) 1.35
Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository. J Chem Inf Model (2009) 1.32
Open access high throughput drug discovery in the public domain: a Mount Everest in the making. Curr Pharm Biotechnol (2010) 1.25
Validating drug repurposing signals using electronic health records: a case study of metformin associated with reduced cancer mortality. J Am Med Inform Assoc (2014) 1.25
Lead-like, drug-like or "Pub-like": how different are they? J Comput Aided Mol Des (2007) 1.21
Dual-fluorophore quantitative high-throughput screen for inhibitors of BRCT-phosphoprotein interaction. Anal Biochem (2007) 1.18
A comparison of machine learning algorithms for chemical toxicity classification using a simulated multi-scale data model. BMC Bioinformatics (2008) 1.18
Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database. Molecules (2013) 1.14
Development of a 384-well colorimetric assay to quantify hydrogen peroxide generated by the redox cycling of compounds in the presence of reducing agents. Assay Drug Dev Technol (2008) 1.14
Potent, selective and cell penetrant inhibitors of SF-1 by functional ultra-high-throughput screening. Mol Pharmacol (2008) 1.12
Identification and characterization of novel tissue-nonspecific alkaline phosphatase inhibitors with diverse modes of action. J Biomol Screen (2009) 1.12
Profiling the NIH Small Molecule Repository for compounds that generate H2O2 by redox cycling in reducing environments. Assay Drug Dev Technol (2010) 1.10
Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem (2009) 1.05
The CARLSBAD database: a confederated database of chemical bioactivities. Database (Oxford) (2013) 1.05
Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB. J Med Chem (2010) 1.04
Chembench: a cheminformatics workbench. Bioinformatics (2010) 1.02
Cdc25B dual-specificity phosphatase inhibitors identified in a high-throughput screen of the NIH compound library. Assay Drug Dev Technol (2009) 1.02
Evolving BioAssay Ontology (BAO): modularization, integration and applications. J Biomed Semantics (2014) 1.01
A strategy to discover inhibitors of Bacillus subtilis surfactin-type phosphopantetheinyl transferase. Mol Biosyst (2009) 1.00
Data mining the NCI60 to predict generalized cytotoxicity. J Chem Inf Model (2008) 0.99
Big data in chemical toxicity research: the use of high-throughput screening assays to identify potential toxicants. Chem Res Toxicol (2014) 0.98
Application of kernel functions for accurate similarity search in large chemical databases. BMC Bioinformatics (2010) 0.97
Advancing Biological Understanding and Therapeutics Discovery with Small-Molecule Probes. Cell (2015) 0.96
Bioinformatics: the next frontier of metabolomics. Anal Chem (2014) 0.95
Repurposing ebselen for treatment of multidrug-resistant staphylococcal infections. Sci Rep (2015) 0.95
Quantitative high-throughput screening identifies inhibitors of anthrax-induced cell death. Bioorg Med Chem (2009) 0.95
PubChem promiscuity: a web resource for gathering compound promiscuity data from PubChem. Bioinformatics (2011) 0.94
PubChemSR: a search and retrieval tool for PubChem. Chem Cent J (2008) 0.94
The pilot phase of the NIH Chemical Genomics Center. Curr Top Med Chem (2009) 0.94
DNA-Encoded Solid-Phase Synthesis: Encoding Language Design and Complex Oligomer Library Synthesis. ACS Comb Sci (2015) 0.92
Identification of novel non-hydroxamate anthrax toxin lethal factor inhibitors by topomeric searching, docking and scoring, and in vitro screening. J Chem Inf Model (2009) 0.92
Rational methods for the selection of diverse screening compounds. ACS Chem Biol (2011) 0.92
High-throughput screening using the differential radial capillary action of ligand assay identifies ebselen as an inhibitor of diguanylate cyclases. ACS Chem Biol (2013) 0.92
Discovery, synthesis, and biological evaluation of novel SMN protein modulators. J Med Chem (2011) 0.91
Transporter-mediated Efflux Influences CNS Side Effects: ABCB1, from Antitarget to Target. Mol Inform (2010) 0.90
Repurposing Clinical Molecule Ebselen to Combat Drug Resistant Pathogens. PLoS One (2015) 0.89
Perfecting probes. Nat Chem Biol (2009) 0.89
Target prediction utilising negative bioactivity data covering large chemical space. J Cheminform (2015) 0.88
Computational systems chemical biology. Methods Mol Biol (2011) 0.88
Identification and optimization of small-molecule agonists of the human relaxin hormone receptor RXFP1. Nat Commun (2013) 0.88
Synthesis of Oxadiazole-2-oxide Analogues as Potential Antischistosomal Agents. Tetrahedron Lett (2009) 0.88
Thioredoxin glutathione reductase: its role in redox biology and potential as a target for drugs against neglected diseases. Biochim Biophys Acta (2011) 0.87
Identification of a potent new chemotype for the selective inhibition of PDE4. Bioorg Med Chem Lett (2008) 0.86
PubChem BioAssay: 2017 update. Nucleic Acids Res (2016) 0.84
GPD: a graph pattern diffusion kernel for accurate graph classification with applications in cheminformatics. IEEE/ACM Trans Comput Biol Bioinform (2010) 0.84
Induction of apoptosis in human multiple myeloma cell lines by ebselen via enhancing the endogenous reactive oxygen species production. Biomed Res Int (2014) 0.84
Microfluidic bead suspension hopper. Anal Chem (2014) 0.84
Identification of N-(quinolin-8-yl)benzenesulfonamides as agents capable of down-regulating NFkappaB activity within two separate high-throughput screens of NFkappaB activation. Bioorg Med Chem Lett (2007) 0.83
Descriptor collision and confusion: toward the design of descriptors to mask chemical structures. J Comput Aided Mol Des (2005) 0.83
Repurposing Non-Antimicrobial Drugs and Clinical Molecules to Treat Bacterial Infections. Curr Pharm Des (2015) 0.83
One hundred years of high-throughput Drosophila research. Chromosome Res (2006) 0.83
Increased diversity of libraries from libraries: chemoinformatic analysis of bis-diazacyclic libraries. Chem Biol Drug Des (2011) 0.82
GPCR ontology: development and application of a G protein-coupled receptor pharmacology knowledge framework. Bioinformatics (2013) 0.82
Do crystal structures obviate the need for theoretical models of GPCRs for structure-based virtual screening? Proteins (2012) 0.82
Similarity-based descriptors (SIBAR)--a tool for safe exchange of chemical information? J Comput Aided Mol Des (2005) 0.82
Contributions of academic laboratories to the discovery and development of chemical biology tools. J Med Chem (2013) 0.81
Neuroscience networking: linking discovery to drugs. Neuropsychopharmacology (2012) 0.81
Accelerated similarity searching and clustering of large compound sets by geometric embedding and locality sensitive hashing. Bioinformatics (2010) 0.81
Characterizing the diversity and biological relevance of the MLPCN assay manifold and screening set. J Chem Inf Model (2011) 0.80
Badapple: promiscuity patterns from noisy evidence. J Cheminform (2016) 0.80
A high-throughput 1,536-well luminescence assay for glutathione S-transferase activity. Assay Drug Dev Technol (2010) 0.80
Application of Top-Down and Bottom-up Systems Approaches in Ruminant Physiology and Metabolism. Curr Genomics (2012) 0.79
The BioAssay network and its implications to future therapeutic discovery. BMC Bioinformatics (2011) 0.79
Blood transcriptomics and metabolomics for personalized medicine. Comput Struct Biotechnol J (2015) 0.79
G protein-coupled receptor signaling analysis using homogenous time-resolved Förster resonance energy transfer (HTRF®) technology. Int J Mol Sci (2014) 0.79
A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space. J Cheminform (2012) 0.78
NIMH initiatives to facilitate collaborations among industry, academia, and government for the discovery and clinical testing of novel models and drugs for psychiatric disorders. Neuropsychopharmacology (2008) 0.78
Initial sequencing and comparative analysis of the mouse genome. Nature (2002) 96.15
A second generation human haplotype map of over 3.1 million SNPs. Nature (2007) 85.39
Identification and analysis of functional elements in 1% of the human genome by the ENCODE pilot project. Nature (2007) 75.09
Finding the missing heritability of complex diseases. Nature (2009) 67.95
Potential etiologic and functional implications of genome-wide association loci for human diseases and traits. Proc Natl Acad Sci U S A (2009) 54.68
A genome-wide association study of type 2 diabetes in Finns detects multiple susceptibility variants. Science (2007) 43.16
Meta-analysis of genome-wide association data and large-scale replication identifies additional susceptibility loci for type 2 diabetes. Nat Genet (2008) 35.06
Biological, clinical and population relevance of 95 loci for blood lipids. Nature (2010) 28.21
Newly identified loci that influence lipid concentrations and risk of coronary artery disease. Nat Genet (2008) 25.83
Association analyses of 249,796 individuals reveal 18 new loci associated with body mass index. Nat Genet (2010) 23.08
Six new loci associated with body mass index highlight a neuronal influence on body weight regulation. Nat Genet (2008) 22.35
Common variants at 30 loci contribute to polygenic dyslipidemia. Nat Genet (2008) 20.66
Generation and initial analysis of more than 15,000 full-length human and mouse cDNA sequences. Proc Natl Acad Sci U S A (2002) 20.48
International network of cancer genome projects. Nature (2010) 20.35
Hundreds of variants clustered in genomic loci and biological pathways affect human height. Nature (2010) 20.01
A HapMap harvest of insights into the genetics of common disease. J Clin Invest (2008) 18.31
New genetic loci implicated in fasting glucose homeostasis and their impact on type 2 diabetes risk. Nat Genet (2010) 17.89
Genome-wide detection and characterization of positive selection in human populations. Nature (2007) 17.27
Twelve type 2 diabetes susceptibility loci identified through large-scale association analysis. Nat Genet (2010) 16.96
Replicating genotype-phenotype associations. Nature (2007) 16.11
Common variants near MC4R are associated with fat mass, weight and risk of obesity. Nat Genet (2008) 15.94
Policy: NIH plans to enhance reproducibility. Nature (2014) 15.71
New models of collaboration in genome-wide association studies: the Genetic Association Information Network. Nat Genet (2007) 13.76
Genetic variants in novel pathways influence blood pressure and cardiovascular disease risk. Nature (2011) 13.25
Genome-wide association study identifies eight loci associated with blood pressure. Nat Genet (2009) 12.44
Recurrent de novo point mutations in lamin A cause Hutchinson-Gilford progeria syndrome. Nature (2003) 12.10
Large-scale association analysis provides insights into the genetic architecture and pathophysiology of type 2 diabetes. Nat Genet (2012) 11.09
Variants in MTNR1B influence fasting glucose levels. Nat Genet (2008) 10.85
The path to personalized medicine. N Engl J Med (2010) 9.87
The status, quality, and expansion of the NIH full-length cDNA project: the Mammalian Gene Collection (MGC). Genome Res (2004) 9.18
Policy: NIH to balance sex in cell and animal studies. Nature (2014) 9.15
Ethics. Identifiability in genomic research. Science (2007) 9.08
A mouse for all reasons. Cell (2007) 9.01
Grand challenges in global mental health. Nature (2011) 8.40
The family history--more important than ever. N Engl J Med (2004) 8.35
Meta-analysis identifies 13 new loci associated with waist-hip ratio and reveals sexual dimorphism in the genetic basis of fat distribution. Nat Genet (2010) 7.94
The knockout mouse project. Nat Genet (2004) 7.80
Accumulation of mutant lamin A causes progressive changes in nuclear architecture in Hutchinson-Gilford progeria syndrome. Proc Natl Acad Sci U S A (2004) 7.55
Common variants in the GDF5-UQCC region are associated with variation in human height. Nat Genet (2008) 7.31
Genetic variation in GIPR influences the glucose and insulin responses to an oral glucose challenge. Nat Genet (2010) 6.66
DNase-chip: a high-resolution method to identify DNase I hypersensitive sites using tiled microarrays. Nat Methods (2006) 6.25
Heritable individual-specific and allele-specific chromatin signatures in humans. Science (2010) 5.94
Genome-wide association scan meta-analysis identifies three Loci influencing adiposity and fat distribution. PLoS Genet (2009) 5.81
Systematic comparison of three genomic enrichment methods for massively parallel DNA sequencing. Genome Res (2010) 5.76
Genome-wide mapping of DNase hypersensitive sites using massively parallel signature sequencing (MPSS). Genome Res (2005) 5.71
Toward the future of psychiatric diagnosis: the seven pillars of RDoC. BMC Med (2013) 5.40
Phenotype and course of Hutchinson-Gilford progeria syndrome. N Engl J Med (2008) 5.34
MicroRNA target site polymorphisms and human disease. Trends Genet (2008) 5.32
Short interfering RNAs can induce unexpected and divergent changes in the levels of untargeted proteins in mammalian cells. Proc Natl Acad Sci U S A (2004) 4.85
Genomic medicine--a primer. N Engl J Med (2002) 4.77
Large-scale association analyses identify new loci influencing glycemic traits and provide insight into the underlying biological pathways. Nat Genet (2012) 4.73
A genome-wide approach accounting for body mass index identifies genetic variants influencing fasting glycemic traits and insulin resistance. Nat Genet (2012) 4.37
Genes, environment and the value of prospective cohort studies. Nat Rev Genet (2006) 4.33
Genome-wide trans-ancestry meta-analysis provides insight into the genetic architecture of type 2 diabetes susceptibility. Nat Genet (2014) 4.13
Common variants at 10 genomic loci influence hemoglobin A₁(C) levels via glycemic and nonglycemic pathways. Diabetes (2010) 4.07
Human laminopathies: nuclei gone genetically awry. Nat Rev Genet (2006) 3.89
Mutant nuclear lamin A leads to progressive alterations of epigenetic control in premature aging. Proc Natl Acad Sci U S A (2006) 3.86
New models for large prospective studies: is there a better way? Am J Epidemiol (2012) 3.85
NIH basics. Science (2012) 3.82
Inhibiting farnesylation of progerin prevents the characteristic nuclear blebbing of Hutchinson-Gilford progeria syndrome. Proc Natl Acad Sci U S A (2005) 3.64
Research priorities. The NIH BRAIN Initiative. Science (2013) 3.61
Variations in the G6PC2/ABCB11 genomic region are associated with fasting glucose levels. J Clin Invest (2008) 3.51
Genomic medicine--an updated primer. N Engl J Med (2010) 3.48
Identifying gene regulatory elements by genome-wide recovery of DNase hypersensitive sites. Proc Natl Acad Sci U S A (2004) 3.41
Genome-wide association study identifies six new loci influencing pulse pressure and mean arterial pressure. Nat Genet (2011) 3.40
Nucleus accumbens dopamine differentially mediates the formation and maintenance of monogamous pair bonds. Nat Neurosci (2005) 3.29
The genome gets personal--almost. JAMA (2008) 3.28
Genome-wide meta-analysis identifies 11 new loci for anthropometric traits and provides insights into genetic architecture. Nat Genet (2013) 3.25
Genetic analysis of complex traits in the emerging Collaborative Cross. Genome Res (2011) 3.25
Keeping pace with the times--the Genetic Information Nondiscrimination Act of 2008. N Engl J Med (2008) 3.22
Novel loci for adiponectin levels and their influence on type 2 diabetes and metabolic traits: a multi-ethnic meta-analysis of 45,891 individuals. PLoS Genet (2012) 3.21
Toward new approaches to psychotic disorders: the NIMH Research Domain Criteria project. Schizophr Bull (2010) 3.21
Identification of the gene (BBS1) most commonly involved in Bardet-Biedl syndrome, a complex human obesity syndrome. Nat Genet (2002) 2.94
Early life programming and neurodevelopmental disorders. Biol Psychiatry (2010) 2.93
Chromatin stretch enhancer states drive cell-specific gene regulation and harbor human disease risk variants. Proc Natl Acad Sci U S A (2013) 2.93
Common variants associated with plasma triglycerides and risk for coronary artery disease. Nat Genet (2013) 2.92
The Scientific Foundation for personal genomics: recommendations from a National Institutes of Health-Centers for Disease Control and Prevention multidisciplinary workshop. Genet Med (2009) 2.91
Sex-stratified genome-wide association studies including 270,000 individuals show sexual dimorphism in genetic loci for anthropometric traits. PLoS Genet (2013) 2.83
FTO genotype is associated with phenotypic variability of body mass index. Nature (2012) 2.77
The NIMH Research Domain Criteria (RDoC) Project: precision medicine for psychiatry. Am J Psychiatry (2014) 2.69
The mammalian gene function resource: the International Knockout Mouse Consortium. Mamm Genome (2012) 2.65
Sociology. Weaving a richer tapestry in biomedical science. Science (2011) 2.63
Genome-wide analysis of menin binding provides insights into MEN1 tumorigenesis. PLoS Genet (2006) 2.62
Association of transcription factor 7-like 2 (TCF7L2) variants with type 2 diabetes in a Finnish sample. Diabetes (2006) 2.58
Exome array analysis identifies new loci and low-frequency variants influencing insulin processing and secretion. Nat Genet (2012) 2.55
A large set of Finnish affected sibling pair families with type 2 diabetes suggests susceptibility loci on chromosomes 6, 11, and 14. Diabetes (2004) 2.46
Detailed physiologic characterization reveals diverse mechanisms for novel genetic Loci regulating glucose and insulin metabolism in humans. Diabetes (2010) 2.44
Genetic variation near the hepatocyte nuclear factor-4 alpha gene predicts susceptibility to type 2 diabetes. Diabetes (2004) 2.43
The mutant form of lamin A that causes Hutchinson-Gilford progeria is a biomarker of cellular aging in human skin. PLoS One (2007) 2.41
Epigenetic sources of behavioral differences in mice. Nat Neurosci (2003) 2.40
Meiotic arrest and aneuploidy in MLH3-deficient mice. Nat Genet (2002) 2.39
Welcome to the genomic era. N Engl J Med (2003) 2.38
Stratifying type 2 diabetes cases by BMI identifies genetic risk variants in LAMA1 and enrichment for risk variants in lean compared to obese cases. PLoS Genet (2012) 2.34
Rapamycin reverses cellular phenotypes and enhances mutant protein clearance in Hutchinson-Gilford progeria syndrome cells. Sci Transl Med (2011) 2.33
High-throughput screening for evidence of association by using mass spectrometry genotyping on DNA pools. Proc Natl Acad Sci U S A (2002) 2.32
Public health. A major environmental cause of death. Science (2011) 2.32
Progressive vascular smooth muscle cell defects in a mouse model of Hutchinson-Gilford progeria syndrome. Proc Natl Acad Sci U S A (2006) 2.28
A new partner for the international knockout mouse consortium. Cell (2007) 2.23