Virtual screening of Indonesian herbal compounds as COVID-19 supportive therapy: machine learning and pharmacophore modeling approaches.
PMID:35922786
NTD-DR: Nonnegative tensor decomposition for drug repositioning.
PMID:35862409
Predicting compound-protein interaction using hierarchical graph convolutional networks.
PMID:35862351
Does adding the drug-drug similarity to drug-target interaction prediction methods make a noticeable improvement in their efficiency?
PMID:35836119
Sequence-based drug-target affinity prediction using weighted graph neural networks.
PMID:35715739
RoFDT: Identification of Drug-Target Interactions from Protein Sequence and Drug Molecular Structure Using Rotation Forest.
PMID:35625469
MSPEDTI: Prediction of Drug-Target Interactions via Molecular Structure with Protein Evolutionary Information.
PMID:35625468
A Method of Optimizing Weight Allocation in Data Integration Based on Q-Learning for Drug-Target Interaction Prediction.
PMID:35356288
Chemogenomic Approaches for Revealing Drug Target Interactions in Drug Discovery.
PMID:35283667
Sequence-based prediction of protein binding regions and drug-target interactions.
PMID:35135622
A community challenge for a pancancer drug mechanism of action inference from perturbational profile data.
PMID:35106508
The Discovery of New Drug-Target Interactions for Breast Cancer Treatment.
PMID:34946556
EmbedDTI: Enhancing the Molecular Representations via Sequence Embedding and Graph Convolutional Network for the Prediction of Drug-Target Interaction.
PMID:34944427
NeuRank: learning to rank with neural networks for drug-target interaction prediction.
PMID:34836495
A unified drug-target interaction prediction framework based on knowledge graph and recommendation system.
PMID:34811351
DaiCee: A database for anti-cancer compounds with targets and side effect profiles.
PMID:34803258
Drug-target interaction prediction using unifying of graph regularized nuclear norm with bilinear factorization.
PMID:34789169
PPDTS: Predicting potential drug-target interactions based on network similarity.
PMID:34783172
Artificial intelligence for the discovery of novel antimicrobial agents for emerging infectious diseases.
PMID:34748992
DeepStack-DTIs: Predicting Drug-Target Interactions Using LightGBM Feature Selection and Deep-Stacked Ensemble Classifier.
PMID:34731411
Comprehensive Survey of Recent Drug Discovery Using Deep Learning.
PMID:34576146
DTi2Vec: Drug-target interaction prediction using network embedding and ensemble learning.
PMID:34551818
Prediction of Drug-Target Interactions by Combining Dual-Tree Complex Wavelet Transform with Ensemble Learning Method.
PMID:34500792
DTI-HeNE: a novel method for drug-target interaction prediction based on heterogeneous network embedding.
PMID:34479477
Machine learning methods, databases and tools for drug combination prediction.
PMID:34477201
SAG-DTA: Prediction of Drug-Target Affinity Using Self-Attention Graph Network.
PMID:34445696
Identification of Targeted Proteins by Jamu Formulas for Different Efficacies Using Machine Learning Approach.
PMID:34440610
Multimorbidity prediction using link prediction.
PMID:34385524
Machine learning approaches for drug combination therapies.
PMID:34368832
Potential drugs against COVID-19 revealed by gene expression profile, molecular docking and molecular dynamic simulation.
PMID:34306168
A protein interactions map of multiple organ systems associated with COVID-19 disease.
PMID:34261299
Predicting Drug-Target Interactions Based on the Ensemble Models of Multiple Feature Pairs.
PMID:34202954
Applications of artificial intelligence to drug design and discovery in the big data era: a comprehensive review.
PMID:34110579
Decoding empagliflozin's molecular mechanism of action in heart failure with preserved ejection fraction using artificial intelligence.
PMID:34103605
Bi-ancestral depression GWAS in the Million Veteran Program and meta-analysis in >1.2 million individuals highlight new therapeutic directions.
PMID:34045744
A Novel Method to Predict Drug-Target Interactions Based on Large-Scale Graph Representation Learning.
PMID:33925568
A computational method for drug sensitivity prediction of cancer cell lines based on various molecular information.
PMID:33914775
AutoDTI++: deep unsupervised learning for DTI prediction by autoencoders.
PMID:33879050
Accelerate Training of Restricted Boltzmann Machines via Iterative Conditional Maximum Likelihood Estimation.
PMID:33859774
Drug-Target Interaction Prediction via Dual Laplacian Graph Regularized Logistic Matrix Factorization.
PMID:33855072
Application of network link prediction in drug discovery.
PMID:33845763
A review on compound-protein interaction prediction methods: Data, format, representation and model.
PMID:33841755
Editor's introduction to this issue (G&I 19:1, 2021).
PMID:33840165
PreDTIs: prediction of drug-target interactions based on multiple feature information using gradient boosting framework with data balancing and feature selection techniques.
PMID:33709119
Patient-Specific Network for Personalized Breast Cancer Therapy with Multi-Omics Data.
PMID:33670375
Drug-Target Interaction Prediction Based on Adversarial Bayesian Personalized Ranking.
PMID:33628808
BOW-GBDT: A GBDT Classifier Combining With Artificial Neural Network for Identifying GPCR-Drug Interaction Based on Wordbook Learning From Sequences.
PMID:33598456
SSnet: A Deep Learning Approach for Protein-Ligand Interaction Prediction.
PMID:33573266
A Deep Learning-Based Approach for Identifying the Medicinal Uses of Plant-Derived Natural Compounds.
PMID:33519445
An efficient computational method for predicting drug-target interactions using weighted extreme learning machine and speed up robot features.
PMID:33472664
Artificial Intelligence in Drug Discovery: A Comprehensive Review of Data-driven and Machine Learning Approaches.
PMID:33437151
DTiGEMS+: drug-target interaction prediction using graph embedding, graph mining, and similarity-based techniques.
PMID:33431036
A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directions.
PMID:33431024
Bioinformatics: new tools and applications in life science and personalized medicine.
PMID:33404829
CovMulNet19, Integrating Proteins, Diseases, Drugs, and Symptoms: A Network Medicine Approach to COVID-19.
PMID:33274348
PIMD: An Integrative Approach for Drug Repositioning Using Multiple Characterization Fusion.
PMID:33075523
Finding New Molecular Targets of Familiar Natural Products Using In Silico Target Prediction.
PMID:32993084
Ensemble Learning Prediction of Drug-Target Interactions Using GIST Descriptor Extracted from PSSM-Based Evolutionary Information.
PMID:32908888
Prediction of drug-target interactions from multi-molecular network based on LINE network representation method.
PMID:32894154
Drug-target interactions prediction using marginalized denoising model on heterogeneous networks.
PMID:32703151
Advancing computer-aided drug discovery (CADD) by big data and data-driven machine learning modeling.
PMID:32663517
An up-to-date overview of computational polypharmacology in modern drug discovery.
PMID:32452701
Drug repositioning or target repositioning: A structural perspective of drug-target-indication relationship for available repurposed drugs.
PMID:32419905
DLS: A Link Prediction Method Based on Network Local Structure for Predicting Drug-Protein Interactions.
PMID:32391341
Identifying GPCR-drug interaction based on wordbook learning from sequences.
PMID:32312232
In Silico Discovery of Candidate Drugs against Covid-19.
PMID:32268515
Modified linear regression predicts drug-target interactions accurately.
PMID:32251481
A deep learning-based method for drug-target interaction prediction based on long short-term memory neural network.
PMID:32183788
Neural networks for protein structure and function prediction and dynamic analysis.
PMID:32166610
FRnet-DTI: Deep convolutional neural network for drug-target interaction prediction.
PMID:32154410
Automated recognition of functional compound-protein relationships in literature.
PMID:32126064
A Novel Approach for Drug-Target Interactions Prediction Based on Multimodal Deep Autoencoder.
PMID:32047432
Machine learning approaches and databases for prediction of drug-target interaction: a survey paper.
PMID:31950972
Drug-target interaction prediction using Multi Graph Regularized Nuclear Norm Minimization.
PMID:31945078
PTS: a pharmaceutical target seeker.
PMID:31725865
A Multi-Label Learning Framework for Drug Repurposing.
PMID:31505805
Drug-Target Interaction Prediction Based on Drug Fingerprint Information and Protein Sequence.
PMID:31430892
Comparison of Target Features for Predicting Drug-Target Interactions by Deep Neural Network Based on Large-Scale Drug-Induced Transcriptome Data.
PMID:31382356
In Silico Toxicology Data Resources to Support Read-Across and (Q)SAR.
PMID:31244651
Validation strategies for target prediction methods.
PMID:31220208
DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences.
PMID:31199797
Revealing Drug-Target Interactions with Computational Models and Algorithms.
PMID:31052598
Extended Multitarget Pharmacology of Anticancer Drugs.
PMID:31025863
Network-based characterization of drug-protein interaction signatures with a space-efficient approach.
PMID:30953486
CSgator: an integrated web platform for compound set analysis.
PMID:30830479
NRLMFβ: Beta-distribution-rescored neighborhood regularized logistic matrix factorization for improving the performance of drug-target interaction prediction.
PMID:30793050
MDAD: A Special Resource for Microbe-Drug Associations.
PMID:30581775
iDEP: an integrated web application for differential expression and pathway analysis of RNA-Seq data.
PMID:30567491
Methods for Discovering and Targeting Druggable Protein-Protein Interfaces and Their Application to Repurposing.
PMID:30547433
A new chemoinformatics approach with improved strategies for effective predictions of potential drugs.
PMID:30311095
Deep learning-based transcriptome data classification for drug-target interaction prediction.
PMID:30255785
Machine Learning for Drug-Target Interaction Prediction.
PMID:30200333
Probing the chemical-biological relationship space with the Drug Target Explorer.
PMID:30128806
Discovering Health Benefits of Phytochemicals with Integrated Analysis of the Molecular Network, Chemical Properties and Ethnopharmacological Evidence.
PMID:30096807
Phenotype-oriented network analysis for discovering pharmacological effects of natural compounds.
PMID:30076354
KampoDB, database of predicted targets and functional annotations of natural medicines.
PMID:30046160
In silico identification of drug target pathways in breast cancer subtypes using pathway cross-talk inhibition.
PMID:29871693
Genome-wide association meta-analysis highlights light-induced signaling as a driver for refractive error.
PMID:29808027
Neural networks for link prediction in realistic biomedical graphs: a multi-dimensional evaluation of graph embedding-based approaches.
PMID:29783926
Docking-based inverse virtual screening: methods, applications, and challenges.
PMID:29577065
Open-source chemogenomic data-driven algorithms for predicting drug-target interactions.
PMID:29420684
In silico profiling of systemic effects of drugs to predict unexpected interactions.
PMID:29371651
Network perturbation analysis of gene transcriptional profiles reveals protein targets and mechanism of action of drugs and influenza A viral infection.
PMID:29325153
A census of P. longum's phytochemicals and their network pharmacological evaluation for identifying novel drug-like molecules against various diseases, with a special focus on neurological disorders.
PMID:29320554
Predicting inhibitory and activatory drug targets by chemically and genetically perturbed transcriptome signatures.
PMID:29317676
iDTI-ESBoost: Identification of Drug Target Interaction Using Evolutionary and Structural Features with Boosting.
PMID:29255285
Drug-Target Interaction Prediction through Label Propagation with Linear Neighborhood Information.
PMID:29186828
DDR: efficient computational method to predict drug-target interactions using graph mining and machine learning approaches.
PMID:29186331
Overcoming Obstacles to Drug Repositioning in Japan.
PMID:29075191
Drug repurposing in idiopathic pulmonary fibrosis filtered by a bioinformatics-derived composite score.
PMID:28974751
In silico prediction of drug-target interaction networks based on drug chemical structure and protein sequences.
PMID:28894115
An Ameliorated Prediction of Drug-Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features.
PMID:28813000
Screening drug-target interactions with positive-unlabeled learning.
PMID:28808275
A simple mathematical approach to the analysis of polypharmacology and polyspecificity data.
PMID:28690829
Prediction of Drug-Target Interaction Networks from the Integration of Protein Sequences and Drug Chemical Structures.
PMID:28678206
Screening the Medicines for Malaria Venture Pathogen Box across Multiple Pathogens Reclassifies Starting Points for Open-Source Drug Discovery.
PMID:28674055
Large-Scale Prediction of Drug-Target Interaction: a Data-Centric Review.
PMID:28577120
Network mirroring for drug repositioning.
PMID:28539121
Pioneering topological methods for network-based drug-target prediction by exploiting a brain-network self-organization theory.
PMID:28453640
Imatinib and spironolactone suppress hepcidin expression.
PMID:28385785
CATTLE (CAncer treatment treasury with linked evidence): An integrated knowledge base for personalized oncology research and practice.
PMID:28296354
SELF-BLM: Prediction of drug-target interactions via self-training SVM.
PMID:28192537
Link prediction in drug-target interactions network using similarity indices.
PMID:28095781
Predicting drug-target interactions by dual-network integrated logistic matrix factorization.
PMID:28079135
Elucidating the modes of action for bioactive compounds in a cell-specific manner by large-scale chemically-induced transcriptomics.
PMID:28071740
Computational polypharmacology: a new paradigm for drug discovery.
PMID:28067061
A comprehensive map of molecular drug targets.
PMID:27910877
A machine-learned computational functional genomics-based approach to drug classification.
PMID:27695919
Inferences of drug responses in cancer cells from cancer genomic features and compound chemical and therapeutic properties.
PMID:27645580
A Multi-scale Computational Platform to Mechanistically Assess the Effect of Genetic Variation on Drug Responses in Human Erythrocyte Metabolism.
PMID:27467583
BioTriangle: a web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.
PMID:27330567
DrugQuest - a text mining workflow for drug association discovery.
PMID:27295093
MBROLE 2.0-functional enrichment of chemical compounds.
PMID:27084944
A comparative study of SMILES-based compound similarity functions for drug-target interaction prediction.
PMID:26987649
DASPfind: new efficient method to predict drug-target interactions.
PMID:26985240
Drug Repositioning for Cancer Therapy Based on Large-Scale Drug-Induced Transcriptional Signatures.
PMID:26954019
Neighborhood Regularized Logistic Matrix Factorization for Drug-Target Interaction Prediction.
PMID:26872142
Improved prediction of drug-target interactions using regularized least squares integrating with kernel fusion technique.
PMID:26851083
A multiple kernel learning algorithm for drug-target interaction prediction.
PMID:26801218
Predicting target proteins for drug candidate compounds based on drug-induced gene expression data in a chemical structure-independent manner.
PMID:26684652
STITCH 5: augmenting protein-chemical interaction networks with tissue and affinity data.
PMID:26590256
PharmDB-K: Integrated Bio-Pharmacological Network Database for Traditional Korean Medicine.
PMID:26555441
Systematic analysis of the associations between adverse drug reactions and pathways.
PMID:26495310
2D and 3D similarity landscape analysis identifies PARP as a novel off-target for the drug Vatalanib.
PMID:26403354
An eigenvalue transformation technique for predicting drug-target interaction.
PMID:26350590
Elucidating Compound Mechanism of Action by Network Perturbation Analysis.
PMID:26186195
Large-scale Direct Targeting for Drug Repositioning and Discovery.
PMID:26155766
Deciding when to stop: efficient experimentation to learn to predict drug-target interactions.
PMID:26153434
A weighted and integrated drug-target interactome: drug repurposing for schizophrenia as a use case.
PMID:26100720
Building a virtual ligand screening pipeline using free software: a survey.
PMID:26094053
Improving compound-protein interaction prediction by building up highly credible negative samples.
PMID:26072486
Determining similarity of scientific entities in annotation datasets.
PMID:25725057
Text mining in cancer gene and pathway prioritization.
PMID:25392685
Cancer in silico drug discovery: a systems biology tool for identifying candidate drugs to target specific molecular tumor subtypes.
PMID:25349306
Adverse drug reaction prediction using scores produced by large-scale drug-protein target docking on high-performance computing machines.
PMID:25191698
DINIES: drug-target interaction network inference engine based on supervised analysis.
PMID:24838565
ProTox: a web server for the in silico prediction of rodent oral toxicity.
PMID:24838562
Integrative approaches for predicting in vivo effects of chemicals from their structural descriptors and the results of short-term biological assays.
PMID:24805064
ASDCD: antifungal synergistic drug combination database.
PMID:24475134
STITCH 4: integration of protein-chemical interactions with user data.
PMID:24293645
Exploring drug-target interaction networks of illicit drugs.
PMID:24268016
Drug repositioning by kernel-based integration of molecular structure, molecular activity, and phenotype data.
PMID:24244318
Toward better drug repositioning: prioritizing and integrating existing methods into efficient pipelines.
PMID:24239728
Computational methods for drug design and discovery: focus on China.
PMID:24035675
Open-source approaches for the repurposing of existing or failed candidate drugs: learning from and applying the lessons across diseases.
PMID:23966771
Predicting Drug-Target Interactions for New Drug Compounds Using a Weighted Nearest Neighbor Profile.
PMID:23840562
Predicting drug-target interactions using restricted Boltzmann machines.
PMID:23812976
Network pharmacology: a new approach for chinese herbal medicine research.
PMID:23762149
GeneSetDB: A comprehensive meta-database, statistical and visualisation framework for gene set analysis.
PMID:23650583
Systematic identification of proteins that elicit drug side effects.
PMID:23632385
Remodeling the proteostasis network to rescue glucocerebrosidase variants by inhibiting ER-associated degradation and enhancing ER folding.
PMID:23620750
Network pharmacology strategies toward multi-target anticancer therapies: from computational models to experimental design principles.
PMID:23530504
Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review.
PMID:23384594
Chapter 3: Small molecules and disease.
PMID:23300405
Identification of pharmacological targets in amyotrophic lateral sclerosis through genomic analysis of deregulated genes and pathways.
PMID:23204922
Effects of protein interaction data integration, representation and reliability on the use of network properties for drug target prediction.
PMID:23146171
Relating drug-protein interaction network with drug side effects.
PMID:22962476
DTome: a web-based tool for drug-target interactome construction.
PMID:22901092
Toward rational fragment-based lead design without 3D structures.
PMID:22889313
Assessing drug target association using semantic linked data.
PMID:22859915
A strategy based on protein-protein interface motifs may help in identifying drug off-targets.
PMID:22817115
INDI: a computational framework for inferring drug interactions and their associated recommendations.
PMID:22806140
Public domain databases for medicinal chemistry.
PMID:22731701
Relax with CouchDB--into the non-relational DBMS era of bioinformatics.
PMID:22609849
Prediction of drug-target interactions and drug repositioning via network-based inference.
PMID:22589709
Drug repositioning for personalized medicine.
PMID:22494857
DetoxiProt: an integrated database for detoxification proteins.
PMID:22369658
STITCH 3: zooming in on protein-chemical interactions.
PMID:22075997
SuperTarget goes quantitative: update on drug-target interactions.
PMID:22067455
Network neighbors of drug targets contribute to drug side-effect similarity.
PMID:21765950
PREDICT: a method for inferring novel drug indications with application to personalized medicine.
PMID:21654673
Combinations of protein-chemical complex structures reveal new targets for established drugs.
PMID:21573205
Discovering the targets of drugs via computational systems biology.
PMID:21566122
Structure-based systems biology for analyzing off-target binding.
PMID:21292475
HIT: linking herbal active ingredients to targets.
PMID:21097881
PROMISCUOUS: a database for network-based drug-repositioning.
PMID:21071407
DrugBank 3.0: a comprehensive resource for 'omics' research on drugs.
PMID:21059682
CancerResource: a comprehensive database of cancer-relevant proteins and compound interactions supported by experimental knowledge.
PMID:20952398
Antimalarial drug targets in Plasmodium falciparum predicted by stage-specific metabolic network analysis.
PMID:20807400
Role of systems pharmacology in understanding drug adverse events.
PMID:20803507
GPCRs, G-proteins, effectors and their interactions: human-gpDB, a database employing visualization tools and data integration techniques.
PMID:20689020
Targeting breast cancer stem cells.
PMID:20599450
Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework.
PMID:20529913
Chem2Bio2RDF: a semantic framework for linking and data mining chemogenomic and systems chemical biology data.
PMID:20478034
iPHACE: integrative navigation in pharmacological space.
PMID:20156991
STITCH 2: an interaction network database for small molecules and proteins.
PMID:19897548
Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins.
PMID:19785456
Supervised prediction of drug-target interactions using bipartite local models.
PMID:19605421
A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery.
PMID:19478004
Generating genome-scale candidate gene lists for pharmacogenomics.
PMID:19369935
Prediction of drug-target interaction networks from the integration of chemical and genomic spaces.
PMID:18586719
SuperPred: drug classification and target prediction.
PMID:18499712
STITCH: interaction networks of chemicals and proteins.
PMID:18084021