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GES Polypharmacology Fingerprints: A Novel Approach for Drug Repositioning

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/(sici)1096-987x(199903)20:4<383::aid-jcc1>3.0.co;2-mopenalex-snapshot

Fast computation, rotation, and comparison of low resolution spherical harmonic molecular surfaces

inferredcites →https://doi.org/10.1002/(sici)1097-0134(20000501)39:2<178::aid-prot8>3.0.co;2-6openalex-snapshot

Protein docking using spherical polar Fourier correlations

inferredcites →https://doi.org/10.1002/9781119013563openalex-snapshot

Statistical Analysis with Missing Data

inferredcites →https://doi.org/10.1002/9783527610907.scardopenalex-snapshot

Methods and Principles in Medicinal Chemistry

inferredcites →https://doi.org/10.1002/cmdc.200700036openalex-snapshot

Modeling Promiscuity Based on in vitro Safety Pharmacology Profiling Data

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Cystic fibrosis transmembrane conductance regulator modulates synaptic chloride homeostasis in motoneurons of the rat spinal cord during neonatal development

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In Silico Receptorome Screening of Antipsychotic Drugs

inferredcites →https://doi.org/10.1002/minf.201000149openalex-snapshot

Using Spherical Harmonic Surface Property Representations for Ligand‐Based Virtual Screening

inferredcites →https://doi.org/10.1002/prot.22345openalex-snapshot

Merging chemical and biological space: Structural mapping of enzyme binding pocket space

inferredcites →https://doi.org/10.1007/s11306-012-0482-9openalex-snapshot

Translational biomarker discovery in clinical metabolomics: an introductory tutorial

inferredcites →https://doi.org/10.1016/j.jkss.2013.01.004openalex-snapshot

Area under the ROC curve comparison in the presence of missing data

inferredcites →https://doi.org/10.1016/j.jmgm.2013.01.003openalex-snapshot

Benchmarking of HPCC: A novel 3D molecular representation combining shape and pharmacophoric descriptors for efficient molecular similarity assessments

inferredcites →https://doi.org/10.1016/j.jspi.2012.06.011openalex-snapshot

Semi-empirical likelihood inference for the ROC curve with missing data

inferredcites →https://doi.org/10.1016/j.tips.2009.11.006openalex-snapshot

Unveiling the role of network and systems biology in drug discovery

inferredcites →https://doi.org/10.1016/s0024-3205(97)00885-0openalex-snapshot

Characterization of LY344864 as a pharmacological tool to study 5-HT1F receptors: Binding affinities, brain penetration and activity in the neurogenic dural inflammation model of migraine

inferredcites →https://doi.org/10.1021/ci050059vopenalex-snapshot

An Analytical, Variable Resolution, Complete Description of Static Molecules and Their Intermolecular Binding Properties

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SHED: Shannon Entropy Descriptors from Topological Feature Distributions

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Predicting Polypharmacology by Binding Site Similarity: From Kinases to the Protein Universe

inferredcites →https://doi.org/10.1021/ci1001394openalex-snapshot

Cross-Target View to Feature Selection: Identification of Molecular Interaction Features in Ligand−Target Space

inferredcites →https://doi.org/10.1021/ci200060sopenalex-snapshot

SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening

inferredcites →https://doi.org/10.1021/ci2002022openalex-snapshot

Drug Effect Prediction by Polypharmacology-Based Interaction Profiling

inferredcites →https://doi.org/10.1021/ci2003544openalex-snapshot

Exploring Polypharmacology Using a ROCS-Based Target Fishing Approach

inferredcites →https://doi.org/10.1021/ci300083ropenalex-snapshot

Protein–Ligand-Based Pharmacophores: Generation and Utility Assessment in Computational Ligand Profiling

inferredcites →https://doi.org/10.1021/ci3000979openalex-snapshot

Detecting Drug Promiscuity Using Gaussian Ensemble Screening

inferredcites →https://doi.org/10.1021/ci400303nopenalex-snapshot

Computational Profiling of Bioactive Compounds Using a Target-Dependent Composite Workflow

inferredcites →https://doi.org/10.1021/ci700415gopenalex-snapshot

Comparison of Ligand-Based and Receptor-Based Virtual Screening of HIV Entry Inhibitors for the CXCR4 and CCR5 Receptors Using 3D Ligand Shape Matching and Ligand−Receptor Docking

inferredcites →https://doi.org/10.1021/ci800079xopenalex-snapshot

Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics

inferredcites →https://doi.org/10.1021/ci800257xopenalex-snapshot

Clustering and Classifying Diverse HIV Entry Inhibitors Using a Novel Consensus Shape-Based Virtual Screening Approach: Further Evidence for Multiple Binding Sites within the CCR5 Extracellular Pocket

inferredcites →https://doi.org/10.1021/ci800447gopenalex-snapshot

Development and Validation of a Novel Protein−Ligand Fingerprint To Mine Chemogenomic Space: Application to G Protein-Coupled Receptors and Their Ligands

inferredcites →https://doi.org/10.1021/jm060902wopenalex-snapshot

Bridging Chemical and Biological Space: “Target Fishing” Using 2D and 3D Molecular Descriptors

inferredcites →https://doi.org/10.1038/448645aopenalex-snapshot

New uses for old drugs

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Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001

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/nbt1228openalex-snapshot

Global mapping of pharmacological space

inferredcites →https://doi.org/10.1038/nbt1284openalex-snapshot

Relating protein pharmacology by ligand chemistry

inferredcites →https://doi.org/10.1039/b905821bopenalex-snapshot

The topology of drug–target interaction networks: implicit dependence on drug properties and target families

inferredcites →https://doi.org/10.1046/j.1471-4159.2001.00154.xopenalex-snapshot

5‐HT2A and D2 receptor blockade increases cortical DA release via 5‐HT1A receptor activation: a possible mechanism of atypical antipsychotic‐induced cortical dopamine release

inferredcites →https://doi.org/10.1089/106652799318274openalex-snapshot

Clustering Gene Expression Patterns

inferredcites →https://doi.org/10.1093/bioinformatics/btp465openalex-snapshot

Network analyses in systems pharmacology

inferredcites →https://doi.org/10.1093/nar/gkm958openalex-snapshot

DrugBank: a knowledgebase for drugs, drug actions and drug targets

inferredcites →https://doi.org/10.1126/science.1158140openalex-snapshot

Drug Target Identification Using Side-Effect Similarity

inferredcites →https://doi.org/10.1186/1472-6807-10-32openalex-snapshot

Relating the shape of protein binding sites to binding affinity profiles: is there an association?

inferredcites →https://doi.org/10.1186/1472-6807-10-s1-s5openalex-snapshot

Discrimination of thermophilic and mesophilic proteins

inferredcites →https://doi.org/10.12688/f1000research.2-144.v1openalex-snapshot

High-resolution view of compound promiscuity

inferredcites →https://doi.org/10.1371/journal.pcbi.1002503openalex-snapshot

Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference

inferredcites →https://doi.org/10.1371/journal.pone.0016999openalex-snapshot

Mining Significant Substructure Pairs for Interpreting Polypharmacology in Drug-Target Network

inferredcites →https://doi.org/10.2174/15680266113139990028openalex-snapshot

Recent Trends and Future Prospects in Computational GPCR Drug Discovery: From Virtual Screening to Polypharmacology

inferredcites →https://doi.org/10.2174/157015908787386113openalex-snapshot

Pharmacology and Therapeutic Potential of Sigma1 Receptor Ligands

inferredcites →https://doi.org/10.2174/2210289201102010113openalex-snapshot

Predicting Drug Promiscuity Using Spherical Harmonic Surface Shape-Based Similarity Comparisons

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Rosiglitazone Inhibits Acyl-CoA Synthetase Activity and Fatty Acid Partitioning to Diacylglycerol and Triacylglycerol via a Peroxisome Proliferator–Activated Receptor-γ–Independent Mechanism in Human Arterial Smooth Muscle Cells and Macrophages

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/9781394182862.ch9openalex-snapshot

Advancements in Rational Multi‐Targeted Drug Discovery

inferred← citeshttps://doi.org/10.1002/9783527674381.ch1openalex-snapshot

Polypharmacology in Drug Discovery

inferred← citeshttps://doi.org/10.1002/minf.201600013openalex-snapshot

Quantitative Structure‐activity Relationship (QSAR) Models for Docking Score Correction

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COVID-19 Recommendation System of Chest X-Ray Images Using CNN Deep Learning Technique with Optimizers and Activation Functions

inferred← citeshttps://doi.org/10.1007/978-981-16-9232-1_2openalex-snapshot

Polypharmacology: New Paradigms in Drug Development

inferred← citeshttps://doi.org/10.1016/bs.apcsb.2020.06.002openalex-snapshot

Current advances on the development of BET inhibitors: insights from computational methods

inferred← citeshttps://doi.org/10.1016/j.cbi.2022.110239openalex-snapshot

Multi-target-based polypharmacology prediction (mTPP): An approach using virtual screening and machine learning for multi-target drug discovery

inferred← citeshttps://doi.org/10.1016/j.compbiomed.2026.111624openalex-snapshot

A screening pipeline for human proteins interacting with dyes and toxins applied to the melanin virulence determinant 1,8-dihydroxynaphthalene of Aspergillus fumigatus

inferred← citeshttps://doi.org/10.1016/j.drudis.2015.12.007openalex-snapshot

In silico methods to address polypharmacology: current status, applications and future perspectives

inferred← citeshttps://doi.org/10.1016/j.ymeth.2014.09.006openalex-snapshot

Tools for in silico target fishing

inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00120openalex-snapshot

GESSE: Predicting Drug Side Effects from Drug–Target Relationships

inferred← citeshttps://doi.org/10.1080/17460441.2018.1413089openalex-snapshot

Improving the efficacy-safety balance of polypharmacology in multi-target drug discovery

inferred← citeshttps://doi.org/10.1080/17460441.2020.1767063openalex-snapshot

An up-to-date overview of computational polypharmacology in modern drug discovery

inferred← citeshttps://doi.org/10.1093/nar/gku401openalex-snapshot

ProTox: a web server for the in silico prediction of rodent oral toxicity

inferred← citeshttps://doi.org/10.1201/9781315368863-12openalex-snapshot

High-Order Perturbation Theory Models of Drug-Target Interactomes for Proteins Expressed on Networks of Hippocampus Brain Region of Alzheimer Disease Patients

inferred← citeshttps://doi.org/10.1517/17460441.2015.1082543openalex-snapshot

Using quantitative systems pharmacology for novel drug discovery

inferred← citeshttps://doi.org/10.2174/0115748936264692230921071504openalex-snapshot

Bioinformatics Perspective of Drug Repurposing

inferred← citeshttps://doi.org/10.2174/1381612822666160224142812openalex-snapshot

Polypharmacology in Drug Discovery: A Review from Systems Pharmacology Perspective

inferred← citeshttps://doi.org/10.2174/2589977513666210211163711openalex-snapshot

Drug Repurposing: An Emerging Tool for Drug Reuse, Recycling and Discovery

inferred← citeshttps://doi.org/10.29356/jmcs.v60i3.100openalex-snapshot

One Drug for Multiple Targets: A Computational Perspective

inferred← citeshttps://doi.org/10.3389/fphar.2019.00743openalex-snapshot

Systems Pharmacology for Investigation of the Mechanisms of Action of Traditional Chinese Medicine in Drug Discovery

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