| scholarly article | Q13442814 |
| P50 | author | Stephen H. Bryant | Q28379581 |
| Qingliang Li | Q30159110 | ||
| Tiejun Cheng | Q57415846 | ||
| P2093 | author name string | Yanli Wang | |
| P2860 | cites work | IUPHAR-DB: the IUPHAR database of G protein-coupled receptors and ion channels | Q24259024 |
| KEGG: kyoto encyclopedia of genes and genomes | Q24515297 | ||
| From genomics to chemical genomics: new developments in KEGG | Q24538628 | ||
| Gapped BLAST and PSI-BLAST: a new generation of protein database search programs | Q24545170 | ||
| KEGG for representation and analysis of molecular networks involving diseases and drugs | Q24644514 | ||
| BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities | Q24675698 | ||
| CDD: a Conserved Domain Database for protein classification | Q24795306 | ||
| Basic local alignment search tool | Q25938991 | ||
| The Protein Data Bank: a computer-based archival file for macromolecular structures | Q27860989 | ||
| How many drug targets are there? | Q28276660 | ||
| Drug discovery using chemical systems biology: identification of the protein-ligand binding network to explain the side effects of CETP inhibitors | Q28475474 | ||
| PubChem as a Source of Polypharmacology | Q28649866 | ||
| An overview of the PubChem BioAssay resource | Q28749237 | ||
| A survey of across-target bioactivity results of small molecules in PubChem | Q28751797 | ||
| A crowdsourcing evaluation of the NIH chemical probes | Q28842738 | ||
| PubChem: a public information system for analyzing bioactivities of small molecules | Q28842768 | ||
| The druggable genome | Q29547361 | ||
| Drug-target network | Q29614447 | ||
| CDD: a database of conserved domain alignments with links to domain three-dimensional structure | Q29616047 | ||
| NIH Molecular Libraries Initiative | Q31127242 | ||
| High-throughput assays for promiscuous inhibitors. | Q33231455 | ||
| ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI). Interview by Wendy A. Warr | Q33384498 | ||
| Target profiling of small molecules by chemical proteomics | Q33494810 | ||
| Novel trends in high-throughput screening | Q33506222 | ||
| Probing the probes: fitness factors for small molecule tools | Q34001269 | ||
| The art of the chemical probe | Q34098693 | ||
| Target discovery | Q34267418 | ||
| Drug target central | Q38089909 | ||
| The druggable genome: an update | Q40362716 | ||
| What's in a number? | Q79480015 | ||
| Perfecting probes | Q84080787 | ||
| P433 | issue | 23-24 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | PubChem | Q278487 |
| drug discovery | Q1418791 | ||
| P304 | page(s) | 1052-7 | |
| P577 | publication date | 2010-12-01 | |
| P1433 | published in | Drug Discovery Today | Q3040085 |
| P1476 | title | PubChem as a public resource for drug discovery | |
| P478 | volume | 15 |
| Q91344512 | A Bayesian machine learning approach for drug target identification using diverse data types |
| Q47135427 | A unified frame of predicting side effects of drugs by using linear neighborhood similarity |
| Q60919846 | Adverse Drug Reaction Predictions Using Stacking Deep Heterogeneous Information Network Embedding Approach |
| Q41696939 | An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes. |
| Q29042705 | Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds |
| Q28654673 | Bigger data, collaborative tools and the future of predictive drug discovery |
| Q30537628 | CYPSI: a structure-based interface for cytochrome P450s and ligands in Arabidopsis thaliana |
| Q35740846 | CancerHSP: anticancer herbs database of systems pharmacology. |
| Q30705788 | Challenges in secondary analysis of high throughput screening data |
| Q43151062 | CheNER: a tool for the identification of chemical entities and their classes in biomedical literature. |
| Q37666597 | CheNER: chemical named entity recognizer. |
| Q51325204 | ChemBioServer: a web-based pipeline for filtering, clustering and visualization of chemical compounds used in drug discovery |
| Q28530229 | ChemMine tools: an online service for analyzing and clustering small molecules |
| Q28743293 | Chemical Entity Semantic Specification: Knowledge representation for efficient semantic cheminformatics and facile data integration |
| Q34536422 | Cheminformatics Based Machine Learning Models for AMA1-RON2 Abrogators for Inhibiting Plasmodium falciparum Erythrocyte Invasion |
| Q45354109 | Cheminformatics-Based Anticoagulant Study of Traditionally Used Medicinal Plants |
| Q45679168 | Chemoisosterism in the Proteome |
| Q92030686 | Chiral Graphs: Reduced Representations of Ligand Scaffolds for Stereoselective Biomolecular Recognition, Drug Design, and Enhanced Exploration of Chemical Structure Space |
| Q38366350 | Combining label-free cell phenotypic profiling with computational approaches for novel drug discovery |
| Q38452129 | Compound annotation with real time cellular activity profiles to improve drug discovery |
| Q47787954 | Computational Profiling of Bioactive Compounds Using a Target-Dependent Composite Workflow |
| Q30414815 | Computational models for in-vitro anti-tubercular activity of molecules based on high-throughput chemical biology screening datasets |
| Q34190574 | Construction of a microbial natural product library for chemical biology studies |
| Q35685689 | Current status and prospects of computational resources for natural product dereplication: a review |
| Q38409890 | Dereplication: racing to speed up the natural products discovery process. |
| Q22252341 | Discovery and resupply of pharmacologically active plant-derived natural products: A review |
| Q36042441 | Discovery of Small Molecule Kappa Opioid Receptor Agonist and Antagonist Chemotypes through a HTS and Hit Refinement Strategy. |
| Q36098995 | Discovery of small molecule inhibitors of MyD88-dependent signaling pathways using a computational screen |
| Q28534178 | Drug Promiscuity in PDB: Protein Binding Site Similarity Is Key |
| Q34271192 | Drug repositioning through incomplete bi-cliques in an integrated drug–target–disease network |
| Q47351412 | Drug-Target Interaction Prediction through Label Propagation with Linear Neighborhood Information. |
| Q28830509 | DrugQuest - a text mining workflow for drug association discovery |
| Q28487551 | Enhancement of Chemical Entity Identification in Text Using Semantic Similarity Validation |
| Q47893147 | Evidence-Based Precision Oncology with the Cancer Targetome. |
| Q28655408 | Evolving BioAssay Ontology (BAO): modularization, integration and applications |
| Q29042701 | Extracting and connecting chemical structures from text sources using chemicalize.org |
| Q34415675 | Extraction and validation of substructure profiles for enriching compound libraries |
| Q28485179 | Formalization, annotation and analysis of diverse drug and probe screening assay datasets using the BioAssay Ontology (BAO) |
| Q28551050 | Gene-Set Local Hierarchical Clustering (GSLHC)--A Gene Set-Based Approach for Characterizing Bioactive Compounds in Terms of Biological Functional Groups |
| Q34770959 | Glycyrrhetinic acid and E.resveratroloside act as potential plant derived compounds against dopamine receptor D3 for Parkinson's disease: a pharmacoinformatics study |
| Q35535409 | HDACiDB: a database for histone deacetylase inhibitors |
| Q24595162 | HMDB 3.0--The Human Metabolome Database in 2013 |
| Q30491667 | Harnessing public domain data to discover and validate therapeutic targets |
| Q54110122 | How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors |
| Q54464443 | Identification of MDP (muramyl dipeptide)-binding key domains in NOD2 (nucleotide-binding and oligomerization domain-2) receptor of Labeo rohita. |
| Q93110035 | Identification of Potential Biomarkers and Survival Analysis for Head and Neck Squamous Cell Carcinoma Using Bioinformatics Strategy: A Study Based on TCGA and GEO Datasets |
| Q34546554 | Identification of novel antimycobacterial chemical agents through the in silico multi-conformational structure-based drug screening of a large-scale chemical library |
| Q36320975 | Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target |
| Q61451256 | Identifying Protein Features Responsible for Improved Drug Repurposing Accuracies Using the CANDO Platform: Implications for Drug Design |
| Q38690805 | In Silico Modeling of Indigo and Tyrian Purple Single-Electron Nano-Transistors Using Density Functional Theory Approach |
| Q30386070 | In Silico Screening of Antibacterial Compounds from Herbal Sources Against Vibrio cholerae. |
| Q55443184 | In silico study on Penicillin derivatives and Cephalosporins for upper respiratory tract bacterial pathogens. |
| Q30662351 | Incorporating new technologies into toxicity testing and risk assessment: moving from 21st century vision to a data-driven framework. |
| Q64078667 | Informatics and Computational Methods in Natural Product Drug Discovery: A Review and Perspectives |
| Q30407436 | Informatics resources for tuberculosis--towards drug discovery. |
| Q38368574 | Integrated Genomic Medicine: A Paradigm for Rare Diseases and Beyond |
| Q28484181 | Integrating Constitutive Gene Expression and Chemoactivity: Mining the NCI60 Anticancer Screen |
| Q49404929 | Interaction of anthraquinones of Cassia occidentalis seeds with DNA and Glutathione |
| Q40658981 | Interference of Bilirubin in the Determination of Magnesium with Methyl Thymol Blue |
| Q48053573 | Is RORγ a therapeutic target for treating Mycobacterium tuberculosis infections? |
| Q30582708 | Kinome-wide Activity Modeling from Diverse Public High-Quality Data Sets |
| Q28545239 | Large-scale chemical similarity networks for target profiling of compounds identified in cell-based chemical screens |
| Q30425422 | Large-scale reverse docking profiles and their applications. |
| Q30669298 | Ligand binding studies, preliminary structure-activity relationship and detailed mechanistic characterization of 1-phenyl-6,6-dimethyl-1,3,5-triazine-2,4-diamine derivatives as inhibitors of Escherichia coli dihydrofolate reductase |
| Q40464569 | Local Alignment of Ligand Binding Sites in Proteins for Polypharmacology and Drug Repositioning. |
| Q27902286 | Machines first, humans second: on the importance of algorithmic interpretation of open chemistry data |
| Q38467407 | Mapping between databases of compounds and protein targets |
| Q38570003 | Metabolic profiling in human exposome studies |
| Q45943415 | Methods for Virtual Screening of GPCR Targets: Approaches and Challenges. |
| Q40656176 | Molecular Docking and Molecular Dynamics Studies to Identify Potential OXA-10 Extended Spectrum β-Lactamase Non-hydrolysing Inhibitors for Pseudomonas aeruginosa |
| Q49525017 | Molecular Simulation Studies of 3,3′-Diindolylmethane as a Potent MicroRNA-21 Antagonist |
| Q33741661 | Molecular analysis of β-lactamase genes to understand their differential expression in strains of Yersinia enterocolitica biotype 1A |
| Q40105271 | Molecular docking analysis of known flavonoids as duel COX-2 inhibitors in the context of cancer. |
| Q54295530 | Molecular docking and molecular dynamics studies on β-lactamases and penicillin binding proteins |
| Q26800097 | Molecular docking and structure-based drug design strategies |
| Q43926611 | Molecular dynamics and molecular docking studies on E166A point mutant, R274N/R276N double mutant, and E166A/R274N/R276N triple mutant forms of class A β-lactamases |
| Q26849400 | Multi -omics and metabolic modelling pipelines: challenges and tools for systems microbiology |
| Q46606906 | Multiple Mutations on the Second Acetylcholinesterase Gene Associated With Dimethoate Resistance in the Melon Aphid, Aphis gossypii (Hemiptera: Aphididae). |
| Q55375487 | Multiscale modelling of relationships between protein classes and drug behavior across all diseases using the CANDO platform. |
| Q47937884 | MurB as a target in an alternative approach to tackle the Vibrio cholerae resistance using molecular docking and simulation study |
| Q30393882 | New Perspectives on How to Discover Drugs from Herbal Medicines: CAM's Outstanding Contribution to Modern Therapeutics. |
| Q35997207 | Novel multifunctional pharmacology of lobinaline, the major alkaloid from Lobelia cardinalis |
| Q37858324 | Old friends in new guise: repositioning of known drugs with structural bioinformatics |
| Q30455359 | Paradigm shift in toxicity testing and modeling |
| Q28652353 | Parallel worlds of public and commercial bioactive chemistry data |
| Q28657698 | Pathway analysis for drug repositioning based on public database mining |
| Q36094830 | Physicochemical Profiles of the Marketed Agrochemicals and Clues for Agrochemical Lead Discovery and Screening Library Development |
| Q40082014 | Potency and pharmacokinetics of broad spectrum and isoform-specific p110γ and δ inhibitors in cancers |
| Q37362677 | Predicting cancer-relevant proteins using an improved molecular similarity ensemble approach |
| Q35832658 | Predicting drug side effects by multi-label learning and ensemble learning |
| Q64124319 | Predicting drug-disease associations and their therapeutic function based on the drug-disease association bipartite network |
| Q55312446 | Predicting drug-disease associations by using similarity constrained matrix factorization. |
| Q33900947 | Predicting perfect drug candidates: Molecular docking 2.0. |
| Q28817872 | Predicting potential drug-drug interactions by integrating chemical, biological, phenotypic and network data |
| Q52607238 | Predicting serious rare adverse reactions of novel chemicals |
| Q34615684 | PubChem applications in drug discovery: a bibliometric analysis |
| Q34074697 | PubChem promiscuity: a web resource for gathering compound promiscuity data from PubChem |
| Q28728238 | Public Domain Databases for Medicinal Chemistry |
| Q30756714 | QSAR modeling of imbalanced high-throughput screening data in PubChem |
| Q39896264 | Qualitative prediction of blood-brain barrier permeability on a large and refined dataset |
| Q36092094 | Quality Issues with Public Domain Chemogenomics Data. |
| Q45947364 | Quantitative prediction of drug side effects based on drug-related features. |
| Q43648589 | Rationalization and prediction of drug resistant mutations in targets for clinical anti-tubercular drugs |
| Q28608563 | Reactome pathway analysis to enrich biological discovery in proteomics data sets |
| Q38495130 | Relating drug–protein interaction network with drug side effects |
| Q27902290 | SANCDB: a South African natural compound database |
| Q30585642 | SARConnect: A Tool to Interrogate the Connectivity Between Proteins, Chemical Structures and Activity Data |
| Q28543656 | Securely measuring the overlap between private datasets with cryptosets |
| Q52311221 | Signalling maps in cancer research: construction and data analysis |
| Q39535435 | Structural Key Bit Occurrence Frequencies and Dependencies in PubChem and Their Effect on Similarity Searches |
| Q36267055 | Structure-Based Virtual Screening |
| Q57285214 | Supporting content curation communities: The case of the Encyclopedia of Life |
| Q58799099 | System Pharmacology-Based Strategy to Decode the Synergistic Mechanism of Zhi-zhu Wan for Functional Dyspepsia |
| Q35091855 | Systematic approaches towards the development of host-directed antiviral therapeutics |
| Q27703005 | TCMSP: a database of systems pharmacology for drug discovery from herbal medicines |
| Q38911008 | Text Mining for Drugs and Chemical Compounds: Methods, Tools and Applications |
| Q28603128 | The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands |
| Q28649911 | The eTOX data-sharing project to advance in silico drug-induced toxicity prediction |
| Q28538838 | Towards structural systems pharmacology to study complex diseases and personalized medicine |
| Q36522926 | Traditional Chinese Medicine-Based Network Pharmacology Could Lead to New Multicompound Drug Discovery |
| Q37279878 | Treatment of Hypertension with Combination of Lisinopril/Hydrochlorothiazide |
| Q64056290 | Untargeted Metabolomics Study of the In Vitro Anti-Hepatoma Effect of Saikosaponin d in Combination with NRP-1 Knockdown |
| Q41697054 | Using the MEROPS Database for Proteolytic Enzymes and Their Inhibitors and Substrates |
| Q28607096 | ZINC 15--Ligand Discovery for Everyone |
| Q29615857 | ZINC: a free tool to discover chemistry for biology |
| Q28543048 | eMatchSite: sequence order-independent structure alignments of ligand binding pockets in protein models |
| Q30660885 | metabolicMine: an integrated genomics, genetics and proteomics data warehouse for common metabolic disease research |
Search more.