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Curation and Analysis of Multitargeting Agents for Polypharmacological Modeling
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Chemoinformatics in Drug Discovery
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WOMBAT: World of Molecular Bioactivity
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Biomolecules in the computer: Jmol to the rescue
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Graphviz and Dynagraph — Static and Dynamic Graph Drawing Tools
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Designing the molecular future
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Docking and chemoinformatic screens for new ligands and targets
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In silico repositioning of approved drugs for rare and neglected diseases
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Evaluation of various inverse docking schemes in multiple targets identification
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An inverse docking approach for identifying new potential anti-cancer targets
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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases
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Drug Effect Prediction by Polypharmacology-Based Interaction Profiling
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CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys
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Comparative QSAR and the Radical Toxicity of Various Functional Groups
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The PDBbind Database: Collection of Binding Affinities for Protein−Ligand Complexes with Known Three-Dimensional Structures
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Navigating chemical space for biology and medicine
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Predicting new molecular targets for known drugs
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Chemical genetic discovery of targets and anti-targets for cancer polypharmacology
inferredcites →https://doi.org/10.1038/nature11159openalex-snapshot
Large-scale prediction and testing of drug activity on side-effect targets
inferredcites →https://doi.org/10.1038/nbt0712-571aopenalex-snapshot
NCATS launches drug repurposing program
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Relating protein pharmacology by ligand chemistry
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Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases
inferredcites →https://doi.org/10.1038/nchembio.118openalex-snapshot
Network pharmacology: the next paradigm in drug discovery
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Hypothesis-driven omics integration
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The model organism as a system: integrating 'omics' data sets
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Ligand Depot: a data warehouse for ligands bound to macromolecules
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Prediction of drug–target interaction networks from the integration of chemical and genomic spaces
inferredcites →https://doi.org/10.1093/bioinformatics/btq461openalex-snapshot
Search and clustering orders of magnitude faster than BLAST
inferredcites →https://doi.org/10.1093/database/bap019openalex-snapshot
Integrating text mining into the MGI biocuration workflow
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How to link ontologies and protein-protein interactions to literature: text-mining approaches and the BioCreative experience
inferredcites →https://doi.org/10.1093/database/bas020openalex-snapshot
Text mining for the biocuration workflow
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VADAR: a web server for quantitative evaluation of protein structure quality
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Database resources of the National Center for Biotechnology Information: update
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BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
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Database resources of the National Center for Biotechnology Information
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STITCH: interaction networks of chemicals and proteins
inferredcites →https://doi.org/10.1093/nar/gkm911openalex-snapshot
Binding MOAD, a high-quality protein ligand database
inferredcites →https://doi.org/10.1093/nar/gkq1062openalex-snapshot
IUPHAR-DB: new receptors and tools for easy searching and visualization of pharmacological data
inferredcites →https://doi.org/10.1093/nar/gkq1126openalex-snapshot
DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1093/nar/gkr912openalex-snapshot
SuperTarget goes quantitative: update on drug-target interactions
inferredcites →https://doi.org/10.1093/nar/gkr981openalex-snapshot
Reorganizing the protein space at the Universal Protein Resource (UniProt)
inferredcites →https://doi.org/10.1093/nar/gks060openalex-snapshot
A transposase strategy for creating libraries of circularly permuted proteins
inferredcites →https://doi.org/10.1109/bibm.2012.6392722openalex-snapshot
A new method for computational drug repositioning using drug pairwise similarity
inferredcites →https://doi.org/10.1126/science.1158140openalex-snapshot
Drug Target Identification Using Side-Effect Similarity
inferredcites →https://doi.org/10.1126/scitranslmed.3002648openalex-snapshot
Computational Repositioning of the Anticonvulsant Topiramate for Inflammatory Bowel Disease
inferredcites →https://doi.org/10.1142/9789814447973_0004openalex-snapshot
A NOVEL MULTI-MODAL DRUG REPURPOSING APPROACH FOR IDENTIFICATION OF POTENT ACK1 INHIBITORS
inferredcites →https://doi.org/10.1146/annurev-pharmtox-010611-134520openalex-snapshot
Systems Pharmacology: Network Analysis to Identify Multiscale Mechanisms of Drug Action
inferredcites →https://doi.org/10.1146/annurev-pharmtox-010611-134630openalex-snapshot
Novel Computational Approaches to Polypharmacology as a Means to Define Responses to Individual Drugs
inferredcites →https://doi.org/10.1186/1471-2105-10-326openalex-snapshot
Text mining and manual curation of chemical-gene-disease networks for the Comparative Toxicogenomics Database (CTD)
inferredcites →https://doi.org/10.1186/1755-8794-1-48openalex-snapshot
The Comparative Toxicogenomics Database facilitates identification and understanding of chemical-gene-disease associations: arsenic as a case study
inferredcites →https://doi.org/10.1186/1758-2946-2-1openalex-snapshot
Molecular structure input on the web
inferredcites →https://doi.org/10.1186/1758-2946-2-s1-o8openalex-snapshot
A Branch-and-Bound approach for tautomer enumeration
inferredcites →https://doi.org/10.1208/s12248-012-9390-1openalex-snapshot
Drug Repurposing: Far Beyond New Targets for Old Drugs
inferredcites →https://doi.org/10.1371/journal.pcbi.1000474openalex-snapshot
A Mapping of Drug Space from the Viewpoint of Small Molecule Metabolism
inferredcites →https://doi.org/10.1371/journal.pcbi.1000648openalex-snapshot
A Multidimensional Strategy to Detect Polypharmacological Targets in the Absence of Structural and Sequence Homology
inferredcites →https://doi.org/10.1371/journal.pone.0041064openalex-snapshot
Prediction of Chemical-Protein Interactions Network with Weighted Network-Based Inference Method
inferredcites →https://doi.org/10.1586/ecp.12.74openalex-snapshot
Polypharmacology: drug discovery for the future
inferredcites →https://doi.org/10.1615/critrevbiomedeng.v38.i2.30openalex-snapshot
Molecular Networks in Drug Discovery
inferredcites →https://doi.org/10.3390/molecules15085079openalex-snapshot
Functionality Pattern Matching as an Efficient Complementary Structure/Reaction Search Tool: an Open-Source Approach
inferredcites →https://doi.org/10.4155/fmc.11.62openalex-snapshot
Computational Tools for Polypharmacology and Repurposing
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Polypharmacology in Drug Development: A Minireview of Current Technologies
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Databases for Rational Design and Discovery of Multitarget Drugs
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Polypharmacology: New Paradigms in Drug Development
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Overview of Drug Polypharmacology and Multitargeted Molecular Design
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Enhancing the Enrichment of Pharmacophore-Based Target Prediction for the Polypharmacological Profiles of Drugs
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Pharmacophore-driven kinase profiling applied to the PKIS2 chemogenomic dataset
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Comprehensive Modeling and Discovery of Mebendazole as a Novel TRAF2- and NCK-interacting Kinase Inhibitor
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Interaction between nanoparticles and charged phospholipid membranes
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Computational polypharmacology: a new paradigm for drug discovery
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An up-to-date overview of computational polypharmacology in modern drug discovery
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LigAdvisor: a versatile and user-friendly web-platform for drug design
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Pharmacophore Based QSAR Modelling of Natural Leads in Antimicrobial Drug Design
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Computational polypharmacology comes of age
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Development and evaluation of a java-based deep neural network method for drug response predictions
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Andrographis paniculata (Burm. f.) Wall. ex Nees: An Updated Review of Phytochemistry, Antimicrobial Pharmacology, and Clinical Safety and Efficacy
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MTLD, a Database of Multiple Target Ligands, the Updated Version
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Multi-Targeting Bioactive Compounds Extracted from Essential Oils as Kinase Inhibitors
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Comparative Study of Genetic and Antibacterial Profiles of Nigerian Indigenous and Exotic Varieties of Garlic (Allium sativum)
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