Published in Nucleic Acids Res on June 04, 2009
DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res (2010) 13.68
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2009) 12.51
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2010) 10.97
Chemical Entities of Biological Interest: an update. Nucleic Acids Res (2009) 8.92
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2011) 8.62
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2012) 8.41
The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of pathway/genome databases. Nucleic Acids Res (2009) 7.33
MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data. BMC Bioinformatics (2010) 5.77
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2013) 5.25
The NCBI BioSystems database. Nucleic Acids Res (2009) 4.80
An overview of the PubChem BioAssay resource. Nucleic Acids Res (2009) 4.75
PubChem's BioAssay Database. Nucleic Acids Res (2011) 3.74
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2014) 3.55
PubChem as a public resource for drug discovery. Drug Discov Today (2010) 3.40
The Comparative Toxicogenomics Database: update 2011. Nucleic Acids Res (2010) 3.15
Chem2Bio2RDF: a semantic framework for linking and data mining chemogenomic and systems chemical biology data. BMC Bioinformatics (2010) 2.94
PubChem Substance and Compound databases. Nucleic Acids Res (2015) 2.84
IUPHAR-DB: new receptors and tools for easy searching and visualization of pharmacological data. Nucleic Acids Res (2010) 2.75
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STITCH 4: integration of protein-chemical interactions with user data. Nucleic Acids Res (2013) 2.32
PubChem BioAssay: 2014 update. Nucleic Acids Res (2013) 2.14
STITCH 3: zooming in on protein-chemical interactions. Nucleic Acids Res (2011) 2.05
Target identification and mechanism of action in chemical biology and drug discovery. Nat Chem Biol (2013) 2.01
Inferred Biomolecular Interaction Server--a web server to analyze and predict protein interacting partners and binding sites. Nucleic Acids Res (2009) 1.85
Advances in structure elucidation of small molecules using mass spectrometry. Bioanal Rev (2010) 1.76
MetaMapp: mapping and visualizing metabolomic data by integrating information from biochemical pathways and chemical and mass spectral similarity. BMC Bioinformatics (2012) 1.56
Predicting environmental chemical factors associated with disease-related gene expression data. BMC Med Genomics (2010) 1.55
Text mining facilitates database curation - extraction of mutation-disease associations from Bio-medical literature. BMC Bioinformatics (2015) 1.44
Virtual screening of bioassay data. J Cheminform (2009) 1.39
metaP-server: a web-based metabolomics data analysis tool. J Biomed Biotechnol (2010) 1.38
T3DB: a comprehensively annotated database of common toxins and their targets. Nucleic Acids Res (2009) 1.32
The HUPO proteomics standards initiative- mass spectrometry controlled vocabulary. Database (Oxford) (2013) 1.31
ClusterMine360: a database of microbial PKS/NRPS biosynthesis. Nucleic Acids Res (2012) 1.31
PubChem3D: a new resource for scientists. J Cheminform (2011) 1.31
SuperTarget goes quantitative: update on drug-target interactions. Nucleic Acids Res (2011) 1.29
Surflex-Dock: Docking benchmarks and real-world application. J Comput Aided Mol Des (2012) 1.27
The University of Minnesota Biocatalysis/Biodegradation Database: improving public access. Nucleic Acids Res (2009) 1.24
Public domain databases for medicinal chemistry. J Med Chem (2012) 1.23
A novel method for mining highly imbalanced high-throughput screening data in PubChem. Bioinformatics (2009) 1.19
Formalization, annotation and analysis of diverse drug and probe screening assay datasets using the BioAssay Ontology (BAO). PLoS One (2012) 1.19
Analysis of multiple compound-protein interactions reveals novel bioactive molecules. Mol Syst Biol (2011) 1.19
SIMCOMP/SUBCOMP: chemical structure search servers for network analyses. Nucleic Acids Res (2010) 1.16
Structure and function of the Smoothened extracellular domain in vertebrate Hedgehog signaling. Elife (2013) 1.15
TDR Targets: a chemogenomics resource for neglected diseases. Nucleic Acids Res (2011) 1.15
Ultra performance liquid chromatography and high resolution mass spectrometry for the analysis of plant lipids. Front Plant Sci (2011) 1.14
Bioinformatics and systems biology of the lipidome. Chem Rev (2011) 1.14
Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools. Nucleic Acids Res (2015) 1.13
Identifying compound-target associations by combining bioactivity profile similarity search and public databases mining. J Chem Inf Model (2011) 1.12
PUG-SOAP and PUG-REST: web services for programmatic access to chemical information in PubChem. Nucleic Acids Res (2015) 1.11
System response of metabolic networks in Chlamydomonas reinhardtii to total available ammonium. Mol Cell Proteomics (2012) 1.11
TargetHunter: an in silico target identification tool for predicting therapeutic potential of small organic molecules based on chemogenomic database. AAPS J (2013) 1.11
Predictive models for anti-tubercular molecules using machine learning on high-throughput biological screening datasets. BMC Res Notes (2011) 1.10
Extending biochemical databases by metabolomic surveys. J Biol Chem (2011) 1.09
SureChEMBL: a large-scale, chemically annotated patent document database. Nucleic Acids Res (2015) 1.09
The MetaboLights repository: curation challenges in metabolomics. Database (Oxford) (2013) 1.08
Combinations of protein-chemical complex structures reveal new targets for established drugs. PLoS Comput Biol (2011) 1.07
BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology. Nucleic Acids Res (2015) 1.07
BioDrugScreen: a computational drug design resource for ranking molecules docked to the human proteome. Nucleic Acids Res (2009) 1.07
Paradigm shift in toxicity testing and modeling. AAPS J (2012) 1.07
An Integrative Platform of TCM Network Pharmacology and Its Application on a Herbal Formula, Qing-Luo-Yin. Evid Based Complement Alternat Med (2013) 1.06
Linking proteomic and transcriptional data through the interactome and epigenome reveals a map of oncogene-induced signaling. PLoS Comput Biol (2013) 1.06
Computational approaches to natural product discovery. Nat Chem Biol (2015) 1.05
IMG-ABC: A Knowledge Base To Fuel Discovery of Biosynthetic Gene Clusters and Novel Secondary Metabolites. MBio (2015) 1.05
PubChem structure-activity relationship (SAR) clusters. J Cheminform (2015) 1.05
Pathway-based drug repositioning using causal inference. BMC Bioinformatics (2013) 1.04
Geroprotectors.org: a new, structured and curated database of current therapeutic interventions in aging and age-related disease. Aging (Albany NY) (2015) 1.04
Untargeted metabolomics from biological sources using ultraperformance liquid chromatography-high resolution mass spectrometry (UPLC-HRMS). J Vis Exp (2013) 1.03
Computational models for in-vitro anti-tubercular activity of molecules based on high-throughput chemical biology screening datasets. BMC Pharmacol (2012) 1.03
Data-driven high-throughput prediction of the 3-D structure of small molecules: review and progress. J Chem Inf Model (2011) 1.02
SCRIPDB: a portal for easy access to syntheses, chemicals and reactions in patents. Nucleic Acids Res (2011) 1.02
New Perspectives on How to Discover Drugs from Herbal Medicines: CAM's Outstanding Contribution to Modern Therapeutics. Evid Based Complement Alternat Med (2013) 1.00
Integrated Approaches for Genome-wide Interrogation of the Druggable Non-olfactory G Protein-coupled Receptor Superfamily. J Biol Chem (2015) 1.00
BioSM: metabolomics tool for identifying endogenous mammalian biochemical structures in chemical structure space. J Chem Inf Model (2013) 1.00
PubChem3D: Conformer generation. J Cheminform (2011) 0.99
Publishing Chinese medicine knowledge as Linked Data on the Web. Chin Med (2010) 0.99
A weighted and integrated drug-target interactome: drug repurposing for schizophrenia as a use case. BMC Syst Biol (2015) 0.99
Follow up: Compound data sets and software tools for chemoinformatics and medicinal chemistry applications: update and data transfer. F1000Res (2014) 0.98
SuperSweet--a resource on natural and artificial sweetening agents. Nucleic Acids Res (2010) 0.98
Big data in chemical toxicity research: the use of high-throughput screening assays to identify potential toxicants. Chem Res Toxicol (2014) 0.98
When is chemical similarity significant? The statistical distribution of chemical similarity scores and its extreme values. J Chem Inf Model (2010) 0.97
PubChem3D: Diversity of shape. J Cheminform (2011) 0.97
Parallel worlds of public and commercial bioactive chemistry data. J Med Chem (2014) 0.97
ProtChemSI: a network of protein-chemical structural interactions. Nucleic Acids Res (2011) 0.96
PubChem3D: conformer ensemble accuracy. J Cheminform (2013) 0.96
PubChem3D: Shape compatibility filtering using molecular shape quadrupoles. J Cheminform (2011) 0.95
Bioinformatics and molecular modeling in glycobiology. Cell Mol Life Sci (2010) 0.95
GPU accelerated chemical similarity calculation for compound library comparison. J Chem Inf Model (2011) 0.95
An Overview of the Challenges in Designing, Integrating, and Delivering BARD: A Public Chemical-Biology Resource and Query Portal for Multiple Organizations, Locations, and Disciplines. J Biomol Screen (2014) 0.95
PubChem applications in drug discovery: a bibliometric analysis. Drug Discov Today (2014) 0.95
Recent progress in the development of metabolome databases for plant systems biology. Front Plant Sci (2013) 0.94
Investigating the correlations among the chemical structures, bioactivity profiles and molecular targets of small molecules. Bioinformatics (2010) 0.94
ChEMBL web services: streamlining access to drug discovery data and utilities. Nucleic Acids Res (2015) 0.94
iPHACE: integrative navigation in pharmacological space. Bioinformatics (2010) 0.93
Understanding lignin-degrading reactions of ligninolytic enzymes: binding affinity and interactional profile. PLoS One (2011) 0.92
Physical binding pocket induction for affinity prediction. J Med Chem (2009) 0.92
Exploring chemical space for drug discovery using the chemical universe database. ACS Chem Neurosci (2012) 0.92
Identification of links between small molecules and miRNAs in human cancers based on transcriptional responses. Sci Rep (2012) 0.92
A Java API for working with PubChem datasets. Bioinformatics (2011) 0.92
Identification of novel functional inhibitors of acid sphingomyelinase. PLoS One (2011) 0.91
Connecting synthetic chemistry decisions to cell and genome biology using small-molecule phenotypic profiling. Curr Opin Chem Biol (2009) 0.90
Basic local alignment search tool. J Mol Biol (1990) 659.07
Medicine. The NIH Roadmap. Science (2003) 14.73
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities. Nucleic Acids Res (2006) 10.36
NIH Molecular Libraries Initiative. Science (2004) 7.04
The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures. J Med Chem (2004) 6.50
ChemBank: a small-molecule screening and cheminformatics resource database. Nucleic Acids Res (2007) 5.10
Clinical research at a crossroads: the NIH roadmap. J Investig Med (2006) 5.02
IUPHAR-DB: the IUPHAR database of G protein-coupled receptors and ion channels. Nucleic Acids Res (2008) 3.76
COMPARE: a web accessible tool for investigating mechanisms of cell growth inhibition. J Mol Graph Model (2002) 2.55
Chemical structure indexing of toxicity data on the internet: moving toward a flat world. Curr Opin Drug Discov Devel (2006) 2.31
GLIDA: GPCR--ligand database for chemical genomics drug discovery--database and tools update. Nucleic Acids Res (2007) 2.22
Building a pharmacological lexicon: small molecule discovery in academia. Mol Pharmacol (2007) 2.20
The preclinical new drug research program of the National Cancer Institute. Cancer Treat Rep (1984) 1.84
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2005) 22.98
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2007) 22.53
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2008) 21.36
PIRSF: family classification system at the Protein Information Resource. Nucleic Acids Res (2004) 19.62
CDD: a Conserved Domain Database for the functional annotation of proteins. Nucleic Acids Res (2010) 19.07
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2006) 18.85
CDD: a Conserved Domain Database for protein classification. Nucleic Acids Res (2005) 18.85
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2006) 18.84
CDD: a database of conserved domain alignments with links to domain three-dimensional structure. Nucleic Acids Res (2002) 18.54
NCBI GEO: mining millions of expression profiles--database and tools. Nucleic Acids Res (2005) 17.61
CD-Search: protein domain annotations on the fly. Nucleic Acids Res (2004) 16.76
Open mass spectrometry search algorithm. J Proteome Res (2004) 15.25
CDD: a curated Entrez database of conserved domain alignments. Nucleic Acids Res (2003) 14.38
CDART: protein homology by domain architecture. Genome Res (2002) 12.95
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2009) 12.51
The Protein Information Resource: an integrated public resource of functional annotation of proteins. Nucleic Acids Res (2002) 12.20
CDD: a conserved domain database for interactive domain family analysis. Nucleic Acids Res (2006) 11.41
The Protein Information Resource. Nucleic Acids Res (2003) 11.17
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2010) 10.97
CDD: specific functional annotation with the Conserved Domain Database. Nucleic Acids Res (2008) 10.73
Database resources of the National Center for Biotechnology Information: update. Nucleic Acids Res (2004) 9.85
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2011) 8.62
MMDB: annotating protein sequences with Entrez's 3D-structure database. Nucleic Acids Res (2006) 7.57
CDD: conserved domains and protein three-dimensional structure. Nucleic Acids Res (2012) 6.39
MMDB: Entrez's 3D-structure database. Nucleic Acids Res (2003) 6.14
PIP(2) and proteins: interactions, organization, and information flow. Annu Rev Biophys Biomol Struct (2001) 5.66
Representative proteomes: a stable, scalable and unbiased proteome set for sequence analysis and functional annotation. PLoS One (2011) 5.64
The pediatric preclinical testing program: description of models and early testing results. Pediatr Blood Cancer (2007) 5.28
Adeno-associated virus serotype 8 efficiently delivers genes to muscle and heart. Nat Biotechnol (2005) 5.27
The NCBI BioSystems database. Nucleic Acids Res (2009) 4.80
An overview of the PubChem BioAssay resource. Nucleic Acids Res (2009) 4.75
MMDB: Entrez's 3D-structure database. Nucleic Acids Res (2002) 4.42
Comparison of sequence and structure alignments for protein domains. Proteins (2002) 4.24
Temporal activation of p53 by a specific MDM2 inhibitor is selectively toxic to tumors and leads to complete tumor growth inhibition. Proc Natl Acad Sci U S A (2008) 4.07
Essential roles of S-nitrosothiols in vascular homeostasis and endotoxic shock. Cell (2004) 3.98
PubChem's BioAssay Database. Nucleic Acids Res (2011) 3.74
The Protein Ontology: a structured representation of protein forms and complexes. Nucleic Acids Res (2010) 3.74
BioThesaurus: a web-based thesaurus of protein and gene names. Bioinformatics (2005) 3.43
PubChem as a public resource for drug discovery. Drug Discov Today (2010) 3.40
CXCL12 / CXCR4 / CXCR7 chemokine axis and cancer progression. Cancer Metastasis Rev (2010) 3.24
Predicting protein-protein interactions based only on sequences information. Proc Natl Acad Sci U S A (2007) 3.06
Coordination of Rab8 and Rab11 in primary ciliogenesis. Proc Natl Acad Sci U S A (2010) 2.88
S-nitrosohemoglobin deficiency: a mechanism for loss of physiological activity in banked blood. Proc Natl Acad Sci U S A (2007) 2.77
Electrostatic sequestration of PIP2 on phospholipid membranes by basic/aromatic regions of proteins. Biophys J (2004) 2.66
Identification of the enzymatic mechanism of nitroglycerin bioactivation. Proc Natl Acad Sci U S A (2002) 2.65
Amine-controlled assembly of metal-sulfite architecture from 1D chains to 3D framework. Inorg Chem (2007) 2.57
Plasmon-controlled fluorescence: a new paradigm in fluorescence spectroscopy. Analyst (2008) 2.45
Autophagy negatively regulates Wnt signalling by promoting Dishevelled degradation. Nat Cell Biol (2010) 2.37
The yak genome and adaptation to life at high altitude. Nat Genet (2012) 2.34
Characterization of sleep in zebrafish and insomnia in hypocretin receptor mutants. PLoS Biol (2007) 2.34
Outcome of a workshop on archiving structural models of biological macromolecules. Structure (2006) 2.32
Early detection of lung adenocarcinoma in sputum by a panel of microRNA markers. Int J Cancer (2010) 2.20
An essential role for mitochondrial aldehyde dehydrogenase in nitroglycerin bioactivation. Proc Natl Acad Sci U S A (2005) 2.18
Dual-modality monitoring of targeted intraarterial delivery of mesenchymal stem cells after transient ischemia. Stroke (2008) 2.18
PubChem BioAssay: 2014 update. Nucleic Acids Res (2013) 2.14
14-3-3zeta Cooperates with ErbB2 to promote ductal carcinoma in situ progression to invasive breast cancer by inducing epithelial-mesenchymal transition. Cancer Cell (2009) 2.09
MMDB: 3D structures and macromolecular interactions. Nucleic Acids Res (2011) 2.06
Exo70 interacts with phospholipids and mediates the targeting of the exocyst to the plasma membrane. EMBO J (2007) 2.03
Human epithelial cancers secrete immunoglobulin g with unidentified specificity to promote growth and survival of tumor cells. Cancer Res (2003) 2.00
Membrane association and functional regulation of Sec3 by phospholipids and Cdc42. J Cell Biol (2008) 1.99
The PubChem chemical structure sketcher. J Cheminform (2009) 1.98
DNA-nanoparticle superlattices formed from anisotropic building blocks. Nat Mater (2010) 1.92
Monocyte chemotactic protein-1 (MCP-1) acts as a paracrine and autocrine factor for prostate cancer growth and invasion. Prostate (2006) 1.90
Inferred Biomolecular Interaction Server--a web server to analyze and predict protein interacting partners and binding sites. Nucleic Acids Res (2009) 1.85
Synthesis, structure, and luminescent properties of hybrid inorganic-organic framework materials formed by lead aromatic carboxylates: inorganic connectivity variation from 0D to 3D. Inorg Chem (2009) 1.85
Annotation of functional sites with the Conserved Domain Database. Database (Oxford) (2012) 1.81
LEAFY COTYLEDON1 is a key regulator of fatty acid biosynthesis in Arabidopsis. Plant Physiol (2008) 1.79
Monocyte chemotactic protein-1 mediates prostate cancer-induced bone resorption. Cancer Res (2007) 1.79
MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res (2013) 1.79
Autophagy is a therapeutic target in anticancer drug resistance. Biochim Biophys Acta (2010) 1.77
The role of electrostatics in protein-membrane interactions. Biochim Biophys Acta (2006) 1.76
PI3K pathway activation results in low efficacy of both trastuzumab and lapatinib. BMC Cancer (2011) 1.73
Overweight is associated with decreased cognitive functioning among school-age children and adolescents. Obesity (Silver Spring) (2008) 1.71
Retroviral matrix domains share electrostatic homology: models for membrane binding function throughout the viral life cycle. Structure (2005) 1.71
Exo70 interacts with the Arp2/3 complex and regulates cell migration. Nat Cell Biol (2006) 1.70
The RABIT: a rapid automated biodosimetry tool for radiological triage. Health Phys (2010) 1.69
Structure-based virtual screening for drug discovery: a problem-centric review. AAPS J (2012) 1.68
CRISPR typing and subtyping for improved laboratory surveillance of Salmonella infections. PLoS One (2012) 1.68
A multicenter, randomized, double-blind, parallel-group, placebo-controlled study of the effects of qili qiangxin capsules in patients with chronic heart failure. J Am Coll Cardiol (2013) 1.66
Very high fructose intake increases serum LDL-cholesterol and total cholesterol: a meta-analysis of controlled feeding trials. J Nutr (2013) 1.65
Findings from 2010 Global Adult Tobacco Survey: implementation of MPOWER policy in China. Biomed Environ Sci (2010) 1.65
Associations between body mass index and the prevalence of low micronutrient levels among US adults. MedGenMed (2006) 1.63
IL-4 and IL-12 regulate proteoglycan-induced arthritis through Stat-dependent mechanisms. J Immunol (2002) 1.61
The neocarzinostatin biosynthetic gene cluster from Streptomyces carzinostaticus ATCC 15944 involving two iterative type I polyketide synthases. Chem Biol (2005) 1.61