The role of drug profiles as similarity metrics: applications to repurposing, adverse effects detection and drug-drug interactions

scientific article

The role of drug profiles as similarity metrics: applications to repurposing, adverse effects detection and drug-drug interactions is …
instance of (P31):
scholarly articleQ13442814

External links are
P8978DBLP publication IDjournals/bib/VilarH17
P356DOI10.1093/BIB/BBW048
P932PMC publication ID6078166
P698PubMed publication ID27273288

P50authorGeorge HripcsakQ32634180
P2093author name stringSantiago Vilar
P2860cites workSemantic similarity in biomedical ontologiesQ21145359
Pharmacogenetics, pharmacogenomics, and individualized medicineQ23919667
Data-driven prediction of drug effects and interactionsQ24599300
NCBI GEO: mining tens of millions of expression profiles--database and tools updateQ24675443
Identification of putative gene based markers of renal toxicityQ24811608
Pharmacogenomics of adverse drug reactionsQ27015820
PREDICT: a method for inferring novel drug indications with application to personalized medicineQ27137071
Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitorsQ27764855
Quantitative monitoring of gene expression patterns with a complementary DNA microarrayQ27861102
Functional discovery via a compendium of expression profilesQ27938962
Inferring genetic networks and identifying compound mode of action via expression profilingQ28185053
Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structureQ28222762
mRNA expression signatures of human skeletal muscle atrophy identify a natural compound that increases muscle massQ28239563
Estimating the cost of new drug development: is it really 802 million dollars?Q28300812
Drug-induced regulation of target expressionQ28475443
Human disease-drug network based on genomic expression profilesQ28475892
Gene expression-based chemical genomics identifies rapamycin as a modulator of MCL1 and glucocorticoid resistanceQ40225720
Analysis of drug-induced effect patterns to link structure and side effects of medicinesQ40363457
A gene expression signature that predicts the future onset of drug-induced renal tubular toxicityQ40379300
Label Propagation Prediction of Drug-Drug Interactions Based on Clinical Side EffectsQ40713580
Postmarketing surveillance and adverse drug reactions: current perspectives and future needs.Q40821953
Large-scale prediction of adverse drug reactions using chemical, biological, and phenotypic properties of drugsQ41962127
DINIES: drug-target interaction network inference engine based on supervised analysis.Q42044276
INDI: a computational framework for inferring drug interactions and their associated recommendationsQ42280497
Predicting ligand binding modes from neural networks trained on protein-ligand interaction fingerprintsQ43528957
Methapyrilene toxicity: anchorage of pathologic observations to gene expression alterations.Q44109092
Gene-expression patterns in drug-resistant acute lymphoblastic leukemia cells and response to treatmentQ45007602
Prediction of polypharmacological profiles of drugs by the integration of chemical, side effect, and therapeutic spaceQ46181348
APIF: a new interaction fingerprint based on atom pairs and its application to virtual screening.Q48014010
Encoding protein-ligand interaction patterns in fingerprints and graphs.Q51252993
Comparative analysis of gene expression profiles between the normal human cartilage and the one with endemic osteoarthritis.Q54527217
Gene expression profiling to monitor therapeutic and adverse effects of antisense therapies for Duchenne muscular dystrophy.Q54609129
Molecular similarity in medicinal chemistry.Q54708065
Gene expression analysis reveals chemical-specific profilesQ74100166
Gene expression-based high-throughput screening(GE-HTS) and application to leukemia differentiationQ75447880
Identification of toxicologically predictive gene sets using cDNA microarraysQ77292517
Drug-induced changes in P450 enzyme expression at the gene expression level: a new dimension to the analysis of drug-drug interactionsQ79374421
Improving detection of adverse effects of marketed drugsQ80628087
Cancer genomics: indicators for drug response from sequencingQ84402470
Personalized pharmacogenomics: predicting efficacy and adverse drug reactionsQ38217661
Molecular fingerprint similarity search in virtual screeningQ38240827
A semantic web ontology for small molecules and their biological targetsQ38374255
Similarity-based search of model organism, disease and drug effect phenotypesQ38415033
Drug repositioning by applying 'expression profiles' generated by integrating chemical structure similarity and gene semantic similarity.Q38434869
Using genomics to help predict drug interactionsQ38449747
Admissions caused by adverse drug events to internal medicine and emergency departments in hospitals: a longitudinal population-based studyQ39608974
Effectiveness of 2D fingerprints for scaffold hoppingQ39765581
Mapping adverse drug reactions in chemical space.Q39881783
Identifying network of drug mode of action by gene expression profilingQ39889042
Inferring new drug indications using the complementarity between clinical disease signatures and drug effects.Q40168508
Gene expression signature-based chemical genomic prediction identifies a novel class of HSP90 pathway modulatorsQ40225712
Systematic drug repositioning based on clinical side-effectsQ28478506
Using functional signatures to identify repositioned drugs for breast, myelogenous leukemia and prostate cancerQ28480572
Assessing drug target association using semantic linked dataQ28480992
Recycling side-effects into clinical markers for drug repositioningQ28482438
Detection of drug-drug interactions by modeling interaction profile fingerprintsQ28487875
The Connectivity Map: a new tool for biomedical researchQ28530408
Improving Detection of Arrhythmia Drug-Drug Interactions in Pharmacovigilance Data through the Implementation of Similarity-Based ModelingQ28548219
Development of a large-scale chemogenomics database to improve drug candidate selection and to understand mechanisms of chemical toxicity and actionQ28564857
Identification of ubiquitin ligases required for skeletal muscle atrophyQ28582211
Similarity-based modeling in large-scale prediction of drug-drug interactionsQ28647954
Novel data-mining methodologies for adverse drug event discovery and analysisQ28681788
A side effect resource to capture phenotypic effects of drugsQ29387552
The Connectivity Map: using gene-expression signatures to connect small molecules, genes, and diseaseQ29547614
Drug target identification using side-effect similarityQ29615103
Can the pharmaceutical industry reduce attrition rates?Q29616077
Relating protein pharmacology by ligand chemistryQ29617492
The SIDER database of drugs and side effectsQ30002337
Drug discovery in the age of systems biology: the rise of computational approaches for data integration.Q30485238
The use of web ontology languages and other semantic web tools in drug discoveryQ30485603
Computational repositioning of the anticonvulsant topiramate for inflammatory bowel diseaseQ30526431
Transcriptional data: a new gateway to drug repositioning?Q30557854
Structural protein-ligand interaction fingerprints (SPLIF) for structure-based virtual screening: method and benchmark studyQ30587389
Evaluation of analytical methods for connectivity map dataQ30591185
Drug repositioning: a machine-learning approach through data integrationQ30651571
Gene expression omnibus: microarray data storage, submission, retrieval, and analysisQ31057685
Molecular similarity: a key technique in molecular informaticsQ31126264
Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactionsQ33196625
Optimizing fragment and scaffold docking by use of molecular interaction fingerprintsQ33269786
Molecular subsets in the gene expression signatures of scleroderma skinQ33354088
Biological spectra analysis: Linking biological activity profiles to molecular structureQ33569085
Identification of small molecules enhancing autophagic function from drug network analysisQ33712703
Systematic evaluation of drug-disease relationships to identify leads for novel drug usesQ33718713
SuperPred: update on drug classification and target predictionQ33860868
Predicting drug side-effect profiles: a chemical fragment-based approachQ33903536
Predicting adverse drug reactions using publicly available PubChem BioAssay dataQ33912477
Discovery and preclinical validation of drug indications using compendia of public gene expression dataQ33995422
Discovery of drug mode of action and drug repositioning from transcriptional responsesQ34093341
Reoptimization of MDL keys for use in drug discoveryQ34160151
Machine learning-based prediction of drug-drug interactions by integrating drug phenotypic, therapeutic, chemical, and genomic propertiesQ34235803
Applications of Connectivity Map in drug discovery and developmentQ34378751
Similarity-based modeling applied to signal detection in pharmacovigilance.Q34413023
New uses for old drugsQ34661227
The genetic basis of variability in drug responsesQ34741545
Systematic evaluation of connectivity map for disease indicationsQ34781421
The cost of adverse drug reactionsQ35076575
Exploiting drug-disease relationships for computational drug repositioningQ35109885
Polypharmacology rescored: protein-ligand interaction profiles for remote binding site similarity assessmentQ35187094
An overview of molecular fingerprint similarity search in virtual screeningQ35838408
Predicting drug response based on gene expressionQ35872206
Large-scale prediction and testing of drug activity on side-effect targetsQ36059863
Drug target prediction using adverse event report systems: a pharmacogenomic approach.Q36218106
Gene expression signature in advanced colorectal cancer patients select drugs and response for the use of leucovorin, fluorouracil, and irinotecanQ36481670
Drug-drug interaction through molecular structure similarity analysis.Q36500491
Hospitalisations and emergency department visits due to drug-drug interactions: a literature reviewQ36677190
SuperPred: drug classification and target predictionQ36749406
Predicting drug-target interactions using restricted Boltzmann machinesQ36960730
Repurpose terbutaline sulfate for amyotrophic lateral sclerosis using electronic medical recordsQ36972534
The use of protein-ligand interaction fingerprints in docking.Q37144273
Mistranslation of membrane proteins and two-component system activation trigger antibiotic-mediated cell death.Q37198083
Postmarketing adverse drug reactions: A duty to report?Q37207579
Informatics confronts drug-drug interactionsQ37257012
Similarity searching using 2D structural fingerprintsQ37788600
Literature mining, ontologies and information visualization for drug repurposingQ37895399
Systems chemical biology and the Semantic Web: what they mean for the future of drug discovery researchQ37973656
Advances in 2D fingerprint similarity searchingQ38028554
Pharmacogenomics of adverse drug reactions: implementing personalized medicineQ38036150
Fingerprint design and engineering strategies: rationalizing and improving similarity search performanceQ38054132
Similarity-based machine learning methods for predicting drug-target interactions: a brief reviewQ38128158
P433issue4
P921main subjectdrug interactionQ718753
P304page(s)670-681
P577publication date2016-06-05
P1433published inBriefings in BioinformaticsQ4967031
P1476titleThe role of drug profiles as similarity metrics: applications to repurposing, adverse effects detection and drug-drug interactions
P478volume18

Reverse relations

cites work (P2860)
Q89665960A Novel Approach for Drug-Target Interactions Prediction Based on Multimodal Deep Autoencoder
Q52593454A two-tiered unsupervised clustering approach for drug repositioning through heterogeneous data integration.
Q45943458DDR: Efficient computational method to predict drug-target interactions using graph mining and machine learning approaches.
Q64072607From single drug targets to synergistic network pharmacology in ischemic stroke
Q55329477Predicting potential drug-drug interactions on topological and semantic similarity features using statistical learning.
Q57002754Proximal Pathway Enrichment Analysis for Targeting Comorbid Diseases via Network Endopharmacology
Q37694044Support for phosphoinositol 3 kinase and mTOR inhibitors as treatment for lupus using in-silico drug-repurposing analysis

Search more.