Machine learning approaches and databases for prediction of drug–target interaction: a survey paper
出版年份 2019 全文链接
标题
Machine learning approaches and databases for prediction of drug–target interaction: a survey paper
作者
关键词
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出版物
BRIEFINGS IN BIOINFORMATICS
Volume -, Issue -, Pages -
出版商
Oxford University Press (OUP)
发表日期
2019-11-09
DOI
10.1093/bib/bbz157
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- PubChem and ChEMBL beyond Lipinski
- (2019) Alice Capecchi et al. Molecular Informatics
- A Comprehensive Review of Feature Based Methods for Drug Target Interaction Prediction
- (2019) Kanica Sachdev et al. JOURNAL OF BIOMEDICAL INFORMATICS
- Predicting Drug-Target Interaction Network Using Deep Learning Model
- (2019) Jiaying You et al. COMPUTATIONAL BIOLOGY AND CHEMISTRY
- DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences
- (2019) Ingoo Lee et al. PLoS Computational Biology
- Survey of Similarity-based Prediction of Drug-protein Interactions
- (2019) Chen Wang et al. CURRENT MEDICINAL CHEMISTRY
- NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions
- (2018) Fangping Wan et al. BIOINFORMATICS
- OUP accepted manuscript
- (2018) BIOINFORMATICS
- Netpredictor: R and Shiny package to perform drug-target network analysis and prediction of missing links
- (2018) Abhik Seal et al. BMC BIOINFORMATICS
- Open-source chemogenomic data-driven algorithms for predicting drug–target interactions
- (2018) Ming Hao et al. BRIEFINGS IN BIOINFORMATICS
- A Systematic Prediction of Drug-Target Interactions Using Molecular Fingerprints and Protein Sequences
- (2018) Yu-an Huang et al. CURRENT PROTEIN & PEPTIDE SCIENCE
- RFDT: A Rotation Forest-based Predictor for Predicting Drug-Target Interactions Using Drug Structure and Protein Sequence Information
- (2018) Lei Wang et al. CURRENT PROTEIN & PEPTIDE SCIENCE
- Linking drug target and pathway activation for effective therapy using multi-task learning
- (2018) Mi Yang et al. Scientific Reports
- An integrative approach to develop computational pipeline for drug-target interaction network analysis
- (2018) Ankush Bansal et al. Scientific Reports
- Deep learning-based transcriptome data classification for drug-target interaction prediction
- (2018) Lingwei Xie et al. BMC GENOMICS
- BE-DTI’: Ensemble framework for drug target interaction prediction using dimensionality reduction and active learning
- (2018) Aman Sharma et al. COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE
- Recent advances in the machine learning-based drug-target interaction prediction
- (2018) Wen Zhang et al. CURRENT DRUG METABOLISM
- Machine Learning for Drug-Target Interaction Prediction
- (2018) Ruolan Chen et al. MOLECULES
- Predicting drug-target interactions using Lasso with random forest based on evolutionary information and chemical structure
- (2018) Han Shi et al. GENOMICS
- Identification of drug-side effect association via multiple information integration with centered kernel alignment
- (2018) Yijie Ding et al. NEUROCOMPUTING
- DrugCentral 2018: an update
- (2018) Oleg Ursu et al. NUCLEIC ACIDS RESEARCH
- BRENDA in 2019: a European ELIXIR core data resource
- (2018) Lisa Jeske et al. NUCLEIC ACIDS RESEARCH
- Drug-Target Interaction Prediction via Dual Laplacian Graph Regularized Matrix Completion
- (2018) Minhui Wang et al. Biomed Research International
- Drug target prediction by multi-view low rank embedding
- (2017) Limin Li et al. IEEE-ACM Transactions on Computational Biology and Bioinformatics
- Drug-Target Interaction Prediction with Graph Regularized Matrix Factorization
- (2017) Ali Ezzat et al. IEEE-ACM Transactions on Computational Biology and Bioinformatics
- Identification of drug-target interactions via multiple information integration
- (2017) Yijie Ding et al. INFORMATION SCIENCES
- An Ameliorated Prediction of Drug–Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features
- (2017) Cong Shen et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Quantitative and Systems Pharmacology. 1. In Silico Prediction of Drug–Target Interactions of Natural Products Enables New Targeted Cancer Therapy
- (2017) Jiansong Fang et al. Journal of Chemical Information and Modeling
- Deep-Learning-Based Drug–Target Interaction Prediction
- (2017) Ming Wen et al. JOURNAL OF PROTEOME RESEARCH
- Nuclear norm of higher-order tensors
- (2017) Shmuel Friedland et al. MATHEMATICS OF COMPUTATION
- Drug-target interaction prediction using ensemble learning and dimensionality reduction
- (2017) Ali Ezzat et al. METHODS
- Prediction of Drug–Target Interaction Networks from the Integration of Protein Sequences and Drug Chemical Structures
- (2017) Fan-Rong Meng et al. MOLECULES
- Drug-Target Interaction Prediction through Label Propagation with Linear Neighborhood Information
- (2017) Wen Zhang et al. MOLECULES
- DrugRPE: Random projection ensemble approach to drug-target interaction prediction
- (2017) Jun Zhang et al. NEUROCOMPUTING
- Drug–target interaction prediction with Bipartite Local Models and hubness-aware regression
- (2017) Krisztian Buza et al. NEUROCOMPUTING
- DGIdb 3.0: a redesign and expansion of the drug–gene interaction database
- (2017) Kelsy C Cotto et al. NUCLEIC ACIDS RESEARCH
- ECOdrug: a database connecting drugs and conservation of their targets across species
- (2017) Bas Verbruggen et al. NUCLEIC ACIDS RESEARCH
- SuperDRUG2: a one stop resource for approved/marketed drugs
- (2017) Vishal B Siramshetty et al. NUCLEIC ACIDS RESEARCH
- DrugBank 5.0: a major update to the DrugBank database for 2018
- (2017) David S Wishart et al. NUCLEIC ACIDS RESEARCH
- A network integration approach for drug-target interaction prediction and computational drug repositioning from heterogeneous information
- (2017) Yunan Luo et al. Nature Communications
- SimBoost: a read-across approach for predicting drug–target binding affinities using gradient boosting machines
- (2017) Tong He et al. Journal of Cheminformatics
- iDTI-ESBoost: Identification of Drug Target Interaction Using Evolutionary and Structural Features with Boosting
- (2017) Farshid Rayhan et al. Scientific Reports
- Predicting Drug–Target Interactions With Multi-Information Fusion
- (2017) Lihong Peng et al. IEEE Journal of Biomedical and Health Informatics
- Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space
- (2017) Antonio Peón et al. Scientific Reports
- In silico prediction of drug-target interaction networks based on drug chemical structure and protein sequences
- (2017) Zhengwei Li et al. Scientific Reports
- Improved prediction of drug-target interactions using regularized least squares integrating with kernel fusion technique
- (2016) Ming Hao et al. ANALYTICA CHIMICA ACTA
- DrugE-Rank: improving drug–target interaction prediction of new candidate drugs or targets by ensemble learning to rank
- (2016) Qingjun Yuan et al. BIOINFORMATICS
- Drug-target interaction prediction via class imbalance-aware ensemble learning
- (2016) Ali Ezzat et al. BMC BIOINFORMATICS
- Predicting drug target interactions using meta-path-based semantic network analysis
- (2016) Gang Fu et al. BMC BIOINFORMATICS
- A multiple kernel learning algorithm for drug-target interaction prediction
- (2016) André C. A. Nascimento et al. BMC BIOINFORMATICS
- An Empirical Study of Features Fusion Techniques for Protein-Protein Interaction Prediction
- (2016) Jiancang Zeng et al. Current Bioinformatics
- DrugMiner: comparative analysis of machine learning algorithms for prediction of potential druggable proteins
- (2016) Ali Akbar Jamali et al. DRUG DISCOVERY TODAY
- A comprehensive map of molecular drug targets
- (2016) Rita Santos et al. NATURE REVIEWS DRUG DISCOVERY
- Predicting drug–target interaction using positive-unlabeled learning
- (2016) Wei Lan et al. NEUROCOMPUTING
- Pharos: Collating protein information to shed light on the druggable genome
- (2016) Dac-Trung Nguyen et al. NUCLEIC ACIDS RESEARCH
- The ChEMBL database in 2017
- (2016) Anna Gaulton et al. NUCLEIC ACIDS RESEARCH
- KEGG: new perspectives on genomes, pathways, diseases and drugs
- (2016) Minoru Kanehisa et al. NUCLEIC ACIDS RESEARCH
- The Next Era: Deep Learning in Pharmaceutical Research
- (2016) Sean Ekins PHARMACEUTICAL RESEARCH
- ChemProt-3.0: a global chemical biology diseases mapping
- (2016) Jens Kringelum et al. Database-The Journal of Biological Databases and Curation
- The harmonizome: a collection of processed datasets gathered to serve and mine knowledge about genes and proteins
- (2016) Andrew D. Rouillard et al. Database-The Journal of Biological Databases and Curation
- DASPfind: new efficient method to predict drug–target interactions
- (2016) Wail Ba-alawi et al. Journal of Cheminformatics
- Drug–target interaction prediction from PSSM based evolutionary information
- (2016) Zaynab Mousavian et al. JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS
- Neighborhood Regularized Logistic Matrix Factorization for Drug-Target Interaction Prediction
- (2016) Yong Liu et al. PLoS Computational Biology
- Representative Vector Machines: A Unified Framework for Classical Classifiers
- (2016) Jie Gui et al. IEEE Transactions on Cybernetics
- Improved genome-scale multi-target virtual screening via a novel collaborative filtering approach to cold-start problem
- (2016) Hansaim Lim et al. Scientific Reports
- PDID: database of molecular-level putative protein–drug interactions in the structural human proteome
- (2015) Chen Wang et al. BIOINFORMATICS
- Improving compound–protein interaction prediction by building up highly credible negative samples
- (2015) Hui Liu et al. BIOINFORMATICS
- Drug–target interaction prediction: databases, web servers and computational models
- (2015) Xing Chen et al. BRIEFINGS IN BIOINFORMATICS
- Machine-learning approaches in drug discovery: methods and applications
- (2015) Antonio Lavecchia DRUG DISCOVERY TODAY
- Drug repositioning and repurposing: terminology and definitions in literature
- (2015) Joris Langedijk et al. DRUG DISCOVERY TODAY
- Identification of drug candidates and repurposing opportunities through compound–target interaction networks
- (2015) Anna Cichonska et al. Expert Opinion on Drug Discovery
- Nearest neighbor regression in the presence of bad hubs
- (2015) Krisztian Buza et al. KNOWLEDGE-BASED SYSTEMS
- Predicting drug–target interaction for new drugs using enhanced similarity measures and super-target clustering
- (2015) Jian-Yu Shi et al. METHODS
- Deep Learning in Drug Discovery
- (2015) Erik Gawehn et al. Molecular Informatics
- Integrated interactions database: tissue-specific view of the human and model organism interactomes
- (2015) Max Kotlyar et al. NUCLEIC ACIDS RESEARCH
- STITCH 5: augmenting protein–chemical interaction networks with tissue and affinity data
- (2015) Damian Szklarczyk et al. NUCLEIC ACIDS RESEARCH
- DGIdb 2.0: mining clinically relevant drug–gene interactions
- (2015) Alex H. Wagner et al. NUCLEIC ACIDS RESEARCH
- BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology
- (2015) Michael K. Gilson et al. NUCLEIC ACIDS RESEARCH
- The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands
- (2015) Christopher Southan et al. NUCLEIC ACIDS RESEARCH
- PubChem Substance and Compound databases
- (2015) Sunghwan Kim et al. NUCLEIC ACIDS RESEARCH
- Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules
- (2015) Shardul Paricharak et al. Journal of Cheminformatics
- Optimizing drug–target interaction prediction based on random walk on heterogeneous networks
- (2015) Abhik Seal et al. Journal of Cheminformatics
- An eigenvalue transformation technique for predicting drug-target interaction
- (2015) Qifan Kuang et al. Scientific Reports
- A Survey on the Computational Approaches to Identify Drug Targets in the Postgenomic Era
- (2015) Yan-Fen Dai et al. Biomed Research International
- PDB-wide collection of binding data: current status of the PDBbind database
- (2014) Zhihai Liu et al. BIOINFORMATICS
- Toward more realistic drug-target interaction predictions
- (2014) T. Pahikkala et al. BRIEFINGS IN BIOINFORMATICS
- Drug–target interaction prediction via chemogenomic space: learning-based methods
- (2014) Zaynab Mousavian et al. Expert Opinion on Drug Metabolism & Toxicology
- Making Sense of Large-Scale Kinase Inhibitor Bioactivity Data Sets: A Comparative and Integrative Analysis
- (2014) Jing Tang et al. Journal of Chemical Information and Modeling
- Computational Prediction of DrugTarget Interactions Using Chemical, Biological, and Network Features
- (2014) Dong-Sheng Cao et al. Molecular Informatics
- eFindSite: Enhanced Fingerprint-Based Virtual Screening Against Predicted Ligand Binding Sites in Protein Models
- (2014) Wei P. Feinstein et al. Molecular Informatics
- DINIES: drug–target interaction network inference engine based on supervised analysis
- (2014) Yoshihiro Yamanishi et al. NUCLEIC ACIDS RESEARCH
- MatrixDB, the extracellular matrix interaction database: updated content, a new navigator and expanded functionalities
- (2014) G. Launay et al. NUCLEIC ACIDS RESEARCH
- Drug–target interaction prediction through domain-tuned network-based inference
- (2013) Salvatore Alaimo et al. BIOINFORMATICS
- Predicting drug-target interactions using restricted Boltzmann machines
- (2013) Yuhao Wang et al. BIOINFORMATICS
- Scalable prediction of compound-protein interactions using minwise hashing
- (2013) Yasuo Tabei et al. BMC Systems Biology
- Similarity-based machine learning methods for predicting drug–target interactions: a brief review
- (2013) Hao Ding et al. BRIEFINGS IN BIOINFORMATICS
- PyDPI: Freely Available Python Package for Chemoinformatics, Bioinformatics, and Chemogenomics Studies
- (2013) Dong-Sheng Cao et al. Journal of Chemical Information and Modeling
- In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naïve Bayes and Parzen-Rosenblatt Window
- (2013) Alexios Koutsoukas et al. Journal of Chemical Information and Modeling
- Prediction of Polypharmacological Profiles of Drugs by the Integration of Chemical, Side Effect, and Therapeutic Space
- (2013) Feixiong Cheng et al. Journal of Chemical Information and Modeling
- Predicting Drug–Target Interactions Using Probabilistic Matrix Factorization
- (2013) Murat Can Cobanoglu et al. Journal of Chemical Information and Modeling
- eFindSite: Improved prediction of ligand binding sites in protein models using meta-threading, machine learning and auxiliary ligands
- (2013) Michal Brylinski et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Efficient regularized least-squares algorithms for conditional ranking on relational data
- (2013) Tapio Pahikkala et al. MACHINE LEARNING
- DGIdb: mining the druggable genome
- (2013) Malachi Griffith et al. NATURE METHODS
- The MIntAct project—IntAct as a common curation platform for 11 molecular interaction databases
- (2013) Sandra Orchard et al. NUCLEIC ACIDS RESEARCH
- DrugBank 4.0: shedding new light on drug metabolism
- (2013) Vivian Law et al. NUCLEIC ACIDS RESEARCH
- The IUPHAR/BPS Guide to PHARMACOLOGY: an expert-driven knowledgebase of drug targets and their ligands
- (2013) Adam J. Pawson et al. NUCLEIC ACIDS RESEARCH
- The ChEMBL bioactivity database: an update
- (2013) A. Patrícia Bento et al. NUCLEIC ACIDS RESEARCH
- STITCH 4: integration of protein–chemical interactions with user data
- (2013) Michael Kuhn et al. NUCLEIC ACIDS RESEARCH
- Predicting Drug-Target Interactions for New Drug Compounds Using a Weighted Nearest Neighbor Profile
- (2013) Twan van Laarhoven et al. PLoS One
- Drug Target Prediction and Repositioning Using an Integrated Network-Based Approach
- (2013) Dorothea Emig et al. PLoS One
- Genome-Scale Screening of Drug-Target Associations Relevant to Ki Using a Chemogenomics Approach
- (2013) Dong-Sheng Cao et al. PLoS One
- iGPCR-Drug: A Web Server for Predicting Interaction between GPCRs and Drugs in Cellular Networking
- (2013) Xuan Xiao et al. PLoS One
- Predicting Drug-Target Interactions Using Drug-Drug Interactions
- (2013) Shinhyuk Kim et al. PLoS One
- Drug Repositioning: A Machine-Learning Approach through Data Integration
- (2013) Francesco Napolitano et al. Journal of Cheminformatics
- Content-boosted matrix factorization techniques for recommender systems
- (2013) Jennifer Nguyen et al. Statistical Analysis and Data Mining
- Large-scale prediction of drug–target interactions using protein sequences and drug topological structures
- (2012) Dong-Sheng Cao et al. ANALYTICA CHIMICA ACTA
- COPICAT: a software system for predicting interactions between proteins and chemical compounds
- (2012) Y. Sakakibara et al. BIOINFORMATICS
- Identification of chemogenomic features from drug-target interaction networks using interpretable classifiers
- (2012) Y. Tabei et al. BIOINFORMATICS
- Drug target prediction using adverse event report systems: a pharmacogenomic approach
- (2012) M. Takarabe et al. BIOINFORMATICS
- Predicting drug-target interactions from chemical and genomic kernels using Bayesian matrix factorization
- (2012) M. Gonen BIOINFORMATICS
- Drug–target interaction prediction by learning from local information and neighbors
- (2012) Jian-Ping Mei et al. BIOINFORMATICS
- BindingDB: A Protein-Ligand Database for Drug Discovery
- (2012) George Nicola et al. BIOPHYSICAL JOURNAL
- A feature extraction technique using bi-gram probabilities of position specific scoring matrix for protein fold recognition
- (2012) Alok Sharma et al. JOURNAL OF THEORETICAL BIOLOGY
- Drug–target interaction prediction by random walk on the heterogeneous network
- (2012) Xing Chen et al. Molecular BioSystems
- Large-scale prediction and testing of drug activity on side-effect targets
- (2012) Eugen Lounkine et al. NATURE
- Protein interaction data curation: the International Molecular Exchange (IMEx) consortium
- (2012) Sandra Orchard et al. NATURE METHODS
- ChemProt-2.0: visual navigation in a disease chemical biology database
- (2012) Sonny Kim Kjærulff et al. NUCLEIC ACIDS RESEARCH
- InnateDB: systems biology of innate immunity and beyond—recent updates and continuing curation
- (2012) Karin Breuer et al. NUCLEIC ACIDS RESEARCH
- A Systematic Prediction of Multiple Drug-Target Interactions from Chemical, Genomic, and Pharmacological Data
- (2012) Hua Yu et al. PLoS One
- Finding Protein Targets for Small Biologically Relevant Ligands across Fold Space Using Inverse Ligand Binding Predictions
- (2012) Gang Hu et al. STRUCTURE
- Developing a biocuration workflow for AgBase, a non-model organism database
- (2012) L. Pillai et al. Database-The Journal of Biological Databases and Curation
- Assessing Drug Target Association Using Semantic Linked Data
- (2012) Bin Chen et al. PLoS Computational Biology
- Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference
- (2012) Feixiong Cheng et al. PLoS Computational Biology
- Gaussian interaction profile kernels for predicting drug–target interaction
- (2011) Twan van Laarhoven et al. BIOINFORMATICS
- Predicting drug side-effect profiles: a chemical fragment-based approach
- (2011) Edouard Pauwels et al. BMC BIOINFORMATICS
- Identify drug repurposing candidates by mining the Protein Data Bank
- (2011) F. Moriaud et al. BRIEFINGS IN BIOINFORMATICS
- Mining small-molecule screens to repurpose drugs
- (2011) S. J. Swamidass BRIEFINGS IN BIOINFORMATICS
- Exploiting drug-disease relationships for computational drug repositioning
- (2011) J. T. Dudley et al. BRIEFINGS IN BIOINFORMATICS
- Detecting Drug Interactions From Adverse-Event Reports: Interaction Between Paroxetine and Pravastatin Increases Blood Glucose Levels
- (2011) N P Tatonetti et al. CLINICAL PHARMACOLOGY & THERAPEUTICS
- Drug discovery in the age of systems biology: the rise of computational approaches for data integration
- (2011) Murat Iskar et al. CURRENT OPINION IN BIOTECHNOLOGY
- Using the TOPS-MODE approach to fit multi-target QSAR models for tyrosine kinases inhibitors
- (2011) Giovanni Marzaro et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Identifying Compound-Target Associations by Combining Bioactivity Profile Similarity Search and Public Databases Mining
- (2011) Tiejun Cheng et al. Journal of Chemical Information and Modeling
- Extracting Sets of Chemical Substructures and Protein Domains Governing Drug-Target Interactions
- (2011) Yoshihiro Yamanishi et al. Journal of Chemical Information and Modeling
- Combining Drug and Gene Similarity Measures for Drug-Target Elucidation
- (2011) Liat Perlman et al. JOURNAL OF COMPUTATIONAL BIOLOGY
- An Algorithmic Framework for Predicting Side Effects of Drugs
- (2011) Nir Atias et al. JOURNAL OF COMPUTATIONAL BIOLOGY
- A Unified, Probabilistic Framework for Structure- and Ligand-Based Virtual Screening
- (2011) Steven L. Swann et al. JOURNAL OF MEDICINAL CHEMISTRY
- From in silico target prediction to multi-target drug design: Current databases, methods and applications
- (2011) Alexios Koutsoukas et al. Journal of Proteomics
- A novel signal detection algorithm for identifying hidden drug-drug interactions in adverse event reports
- (2011) Nicholas P Tatonetti et al. JOURNAL OF THE AMERICAN MEDICAL INFORMATICS ASSOCIATION
- Regression shrinkage and selection via the lasso: a retrospective
- (2011) Robert Tibshirani JOURNAL OF THE ROYAL STATISTICAL SOCIETY SERIES B-STATISTICAL METHODOLOGY
- Analysis of multiple compound-protein interactions reveals novel bioactive molecules
- (2011) H. Yabuuchi et al. Molecular Systems Biology
- PREDICT: a method for inferring novel drug indications with application to personalized medicine
- (2011) A. Gottlieb et al. Molecular Systems Biology
- Comprehensive analysis of kinase inhibitor selectivity
- (2011) Mindy I Davis et al. NATURE BIOTECHNOLOGY
- Navigating the kinome
- (2011) James T Metz et al. Nature Chemical Biology
- MINT, the molecular interaction database: 2012 update
- (2011) Luana Licata et al. NUCLEIC ACIDS RESEARCH
- The UniProt-GO Annotation database in 2011
- (2011) E. C. Dimmer et al. NUCLEIC ACIDS RESEARCH
- STITCH 3: zooming in on protein-chemical interactions
- (2011) M. Kuhn et al. NUCLEIC ACIDS RESEARCH
- ChEMBL: a large-scale bioactivity database for drug discovery
- (2011) A. Gaulton et al. NUCLEIC ACIDS RESEARCH
- Computational Repositioning of the Anticonvulsant Topiramate for Inflammatory Bowel Disease
- (2011) J. T. Dudley et al. Science Translational Medicine
- Discovery and Preclinical Validation of Drug Indications Using Compendia of Public Gene Expression Data
- (2011) M. Sirota et al. Science Translational Medicine
- Open Babel: An open chemical toolbox
- (2011) Noel M O'Boyle et al. Journal of Cheminformatics
- Exploring Off-Targets and Off-Systems for Adverse Drug Reactions via Chemical-Protein Interactome — Clozapine-Induced Agranulocytosis as a Case Study
- (2011) Lun Yang et al. PLoS Computational Biology
- A Computational Approach to Finding Novel Targets for Existing Drugs
- (2011) Yvonne Y. Li et al. PLoS Computational Biology
- Drug Discovery Using Chemical Systems Biology: Weak Inhibition of Multiple Kinases May Contribute to the Anti-Cancer Effect of Nelfinavir
- (2011) Li Xie et al. PLoS Computational Biology
- Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework
- (2010) Y. Yamanishi et al. BIOINFORMATICS
- Semi-supervised drug-protein interaction prediction from heterogeneous biological spaces
- (2010) Zheng Xia et al. BMC Systems Biology
- Ranking Chemical Structures for Drug Discovery: A New Machine Learning Approach
- (2010) Shivani Agarwal et al. Journal of Chemical Information and Modeling
- PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints
- (2010) Chun Wei Yap JOURNAL OF COMPUTATIONAL CHEMISTRY
- MIND-BEST: Web Server for Drugs and Target Discovery; Design, Synthesis, and Assay of MAO-B Inhibitors and Theoretical−Experimental Study of G3PDH Protein fromTrichomonas gallinae
- (2010) Humberto González-Díaz et al. JOURNAL OF PROTEOME RESEARCH
- Computationally Probing Drug-Protein Interactions Via Support Vector Machine
- (2010) Yong-Cui Wang et al. Letters in Drug Design & Discovery
- AgBase: supporting functional modeling in agricultural organisms
- (2010) Fiona M. McCarthy et al. NUCLEIC ACIDS RESEARCH
- Link prediction in complex networks: A survey
- (2010) Linyuan Lü et al. PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
- Predicting Drug-Target Interaction Networks Based on Functional Groups and Biological Features
- (2010) Zhisong He et al. PLoS One
- Discovery of drug mode of action and drug repositioning from transcriptional responses
- (2010) F. Iorio et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Solving the apparent diversity-accuracy dilemma of recommender systems
- (2010) T. Zhou et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets
- (2010) Gerard J. P. van Westen et al. MedChemComm
- Supervised prediction of drug–target interactions using bipartite local models
- (2009) Kevin Bleakley et al. BIOINFORMATICS
- Generating Genome-Scale Candidate Gene Lists for Pharmacogenomics
- (2009) N T Hansen et al. CLINICAL PHARMACOLOGY & THERAPEUTICS
- Systematic Evaluation of Drug–Disease Relationships to Identify Leads for Novel Drug Uses
- (2009) A P Chiang et al. CLINICAL PHARMACOLOGY & THERAPEUTICS
- Exact Matrix Completion via Convex Optimization
- (2009) Emmanuel J. Candès et al. FOUNDATIONS OF COMPUTATIONAL MATHEMATICS
- Ligand Prediction for Orphan Targets Using Support Vector Machines and Various Target-Ligand Kernels Is Dominated by Nearest Neighbor Effects
- (2009) Anne Mai Wassermann et al. Journal of Chemical Information and Modeling
- Mapping Adverse Drug Reactions in Chemical Space
- (2009) Josef Scheiber et al. JOURNAL OF MEDICINAL CHEMISTRY
- Predicting new molecular targets for known drugs
- (2009) Michael J. Keiser et al. NATURE
- STITCH 2: an interaction network database for small molecules and proteins
- (2009) Michael Kuhn et al. NUCLEIC ACIDS RESEARCH
- MINT, the molecular interaction database: 2009 update
- (2009) Arnaud Ceol et al. NUCLEIC ACIDS RESEARCH
- Drug Discovery Using Chemical Systems Biology: Repositioning the Safe Medicine Comtan to Treat Multi-Drug and Extensively Drug Resistant Tuberculosis
- (2009) Sarah L. Kinnings et al. PLoS Computational Biology
- Integrating Statistical Predictions and Experimental Verifications for Enhancing Protein-Chemical Interaction Predictions in Virtual Screening
- (2009) Nobuyoshi Nagamine et al. PLoS Computational Biology
- Building Disease-Specific Drug-Protein Connectivity Maps from Molecular Interaction Networks and PubMed Abstracts
- (2009) Jiao Li et al. PLoS Computational Biology
- Walking the Interactome for Prioritization of Candidate Disease Genes
- (2008) Sebastian Köhler et al. AMERICAN JOURNAL OF HUMAN GENETICS
- Protein-ligand interaction prediction: an improved chemogenomics approach
- (2008) Laurent Jacob et al. BIOINFORMATICS
- Prediction of drug-target interaction networks from the integration of chemical and genomic spaces
- (2008) Y. Yamanishi et al. BIOINFORMATICS
- Large-scale prediction of drug-target relationships
- (2008) Michael Kuhn et al. FEBS LETTERS
- Convex and Semi-Nonnegative Matrix Factorizations
- (2008) C.H.Q. Ding et al. IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE
- Finding multiple target optimal intervention in disease-related molecular network
- (2008) Kun Yang et al. Molecular Systems Biology
- A modular approach for integrative analysis of large-scale gene-expression and drug-response data
- (2008) Zoltán Kutalik et al. NATURE BIOTECHNOLOGY
- Network pharmacology: the next paradigm in drug discovery
- (2008) Andrew L Hopkins Nature Chemical Biology
- Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments
- (2008) L. Xie et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Drug Target Identification Using Side-Effect Similarity
- (2008) M. Campillos et al. SCIENCE
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