2023
DeepDrug: A general graph‐based deep learning framework for drug‐drug interactions and drug‐target interactions prediction
Yin Q, Fan R, Cao X, Liu Q, Jiang R, Zeng W. DeepDrug: A general graph‐based deep learning framework for drug‐drug interactions and drug‐target interactions prediction. Quantitative Biology 2023, 11: 260-274. DOI: 10.15302/j-qb-022-0320.Peer-Reviewed Original ResearchDrug-target interaction predictionDrug-target interactionsConvolutional networkState-of-the-art methodsResidual Graph Convolution NetworkGraph convolutional networkDeep learning frameworkRepresentations of drugsAccurate prediction of drug-drug interactionsDrug repositioningRegression tasksSuperior prediction performanceLearning frameworkComprehensive featuresTop-ranked drugsDiscovery processInteraction predictionDrug discovery processPredictive performanceAccurate predictionNetworkPrediction of drug-drug interactionsDownstream applicationsPrediction of drug interactionsPotential drug candidatesArtificial Intelligence–Enhanced Drug Discovery and the Achievement of Next-Generation Human-Centered Health System
Mbatha S, Mulaudzi T, Mbita Z, Adeola H, Batra J, Blenman K, Dlamini Z. Artificial Intelligence–Enhanced Drug Discovery and the Achievement of Next-Generation Human-Centered Health System. 2023, 155-177. DOI: 10.1007/978-3-031-36461-7_7.Peer-Reviewed Original ResearchArtificial intelligenceMachine learningUses of AIDeep learning algorithmsArtificial intelligence technologyDiscovery processIncorporation of AIInformation-intensive societyIntelligence technologyLearning algorithmHealth care systemHuman-centered societyVast amountComprehensive solutionDevelopment processDesign processChallenges of availabilityDrug discovery processCare systemClinical dataIntelligenceSociety 5.0Health needsPhysical spaceComputational model
2022
Role of Structural Modifications of Drug Candidates to Enhance Metabolic Stability
Nassar A. Role of Structural Modifications of Drug Candidates to Enhance Metabolic Stability. 2022, 303-322. DOI: 10.1002/9781119851042.ch9.Peer-Reviewed Original ResearchDrug candidatesStructural modificationsMetabolic stabilityDrug discovery processADME propertiesMetabolite characterizationDrug designDrug discoveryBalance of propertiesToxicity relationshipsExcretion studiesMetabolic instabilityDiscovery processHuman patientsStabilityPropertiesSuccess rateModificationDrugsCandidatesCharacterizationAbsorptionPatients
2012
DTome: a web-based tool for drug-target interactome construction
Sun J, Wu Y, Xu H, Zhao Z. DTome: a web-based tool for drug-target interactome construction. BMC Bioinformatics 2012, 13: s7. PMID: 22901092, PMCID: PMC3372450, DOI: 10.1186/1471-2105-13-s9-s7.Peer-Reviewed Original ResearchConceptsWeb-based toolUser-friendly web interfaceWeb-based queriesRich data sourceDifferent knowledge basesDatabase schemaWeb interfaceVisualization processKnowledge basesComputational workflowDiscovery processData sourcesNetworkDrug-target interactionsDrugs' primary targetsDrug-target networkWorkflowEarly-stage drug discoveryNetwork analysisQueriesToolPromising approachDrug discovery processSchemaDetailed network analysis
2010
Structural Modifications of Drug Candidates: How Useful Are They in Improving Metabolic Stability of New Drugs? Part I: Enhancing Metabolic Stability
Nassar A. Structural Modifications of Drug Candidates: How Useful Are They in Improving Metabolic Stability of New Drugs? Part I: Enhancing Metabolic Stability. 2010, 1-16. DOI: 10.1002/9780470571224.pse109.Peer-Reviewed Original Research
2004
Improving the decision-making process in the structural modification of drug candidates: enhancing metabolic stability
Nassar A, Kamel A, Clarimont C. Improving the decision-making process in the structural modification of drug candidates: enhancing metabolic stability. Drug Discovery Today 2004, 9: 1020-1028. PMID: 15574318, DOI: 10.1016/s1359-6446(04)03280-5.Peer-Reviewed Original ResearchConceptsStructural modification of drug candidatesDrug candidatesDesign of drug candidatesStructural modificationsDrug discovery processADME propertiesADME studiesMetabolite characterizationBalance of propertiesDecision-making processDrug designMetabolic stabilityDrug discoveryDiscovery processADMEMetabolic instabilityDesignDevelopment stageProperties
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