相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Drug Target Prediction by Multi-View Low Rank Embedding
Limin Li et al.
IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS (2019)
NeoDTI: neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions
Fangping Wan et al.
BIOINFORMATICS (2019)
Open-source chemogenomic data-driven algorithms for predicting drug-target interactions
Ming Hao et al.
BRIEFINGS IN BIOINFORMATICS (2019)
Recent Advances in the Machine Learning-based Drug-target Interaction Prediction
Wen Zhang et al.
CURRENT DRUG METABOLISM (2019)
A comprehensive review of feature based methods for drug target interaction prediction
Kanica Sachdev et al.
JOURNAL OF BIOMEDICAL INFORMATICS (2019)
PubChem and ChEMBL beyond Lipinski
Alice Capecchi et al.
MOLECULAR INFORMATICS (2019)
DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences
Ingo Lee et al.
PLOS COMPUTATIONAL BIOLOGY (2019)
Predicting drug-target interactions using Lasso with random forest based on evolutionary information and chemical structure
Han Shi et al.
GENOMICS (2019)
Identification of drug-side effect association via multiple information integration with centered kernel alignment
Yijie Ding et al.
NEUROCOMPUTING (2019)
DrugCentral 2018: an update
Oleg Ursu et al.
NUCLEIC ACIDS RESEARCH (2019)
BRENDA in 2019: a European ELIXIR core data resource
Lisa Jeske et al.
NUCLEIC ACIDS RESEARCH (2019)
NUCLEAR NORM OF HIGHER-ORDER TENSORS
Shmuel Friedland et al.
MATHEMATICS OF COMPUTATION (2018)
Therapeutic target database update 2018: enriched resource for facilitating bench-to-clinic research of targeted therapeutics
Ying Hong Li et al.
NUCLEIC ACIDS RESEARCH (2018)
ECOdrug: a database connecting drugs and conservation of their targets across species
Bas Verbruggen et al.
NUCLEIC ACIDS RESEARCH (2018)
SuperDRUG2: a one stop resource for approved/marketed drugs
Vishal B. Siramshetty et al.
NUCLEIC ACIDS RESEARCH (2018)
DrugBank 5.0: a major update to the DrugBank database for 2018
David S. Wishart et al.
NUCLEIC ACIDS RESEARCH (2018)
DeepDTA: deep drug-target binding affinity prediction
Hakime Ozturk et al.
BIOINFORMATICS (2018)
Netpredictor: R and Shiny package to perform drug-target network analysis and prediction of missing links
Abhik Seal et al.
BMC BIOINFORMATICS (2018)
A Systematic Prediction of Drug-Target Interactions Using Molecular Fingerprints and Protein Sequences
Yu-An Huang et al.
CURRENT PROTEIN & PEPTIDE SCIENCE (2018)
RFDT: A Rotation Forest-based Predictor for Predicting Drug-Target Interactions Using Drug Structure and Protein Sequence Information
Lei Wang et al.
CURRENT PROTEIN & PEPTIDE SCIENCE (2018)
Linking drug target and pathway activation for effective therapy using multi-task learning
Mi Yang et al.
SCIENTIFIC REPORTS (2018)
An integrative approach to develop computational pipeline for drug-target interaction network analysis
Ankush Bansal et al.
SCIENTIFIC REPORTS (2018)
Deep learning-based transcriptome data classification for drug-target interaction prediction
Lingwei Xie et al.
BMC GENOMICS (2018)
BE-DTI': Ensemble framework for drug target interaction prediction using dimensionality reduction and active learning
Aman Sharma et al.
COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE (2018)
Machine Learning for Drug-Target Interaction Prediction
Ruolan Chen et al.
MOLECULES (2018)
Drug-Target Interaction Prediction via Dual Laplacian Graph Regularized Matrix Completion
Minhui Wang et al.
BIOMED RESEARCH INTERNATIONAL (2018)
Drug-Target Interaction Prediction with Weighted Bayesian Ranking
Zezhi Shi et al.
2018 2ND INTERNATIONAL CONFERENCE ON BIOMEDICAL ENGINEERING AND BIOINFORMATICS (ICBEB 2018) (2018)
A Computational-Based Method for Predicting Drug-Target Interactions by Using Stacked Autoencoder Deep Neural Network
Lei Wang et al.
JOURNAL OF COMPUTATIONAL BIOLOGY (2018)
DDR: efficient computational method to predict drug-target interactions using graph mining and machine learning approaches
Rawan S. Olayan et al.
BIOINFORMATICS (2018)
A comprehensive map of molecular drug targets
Rita Santos et al.
NATURE REVIEWS DRUG DISCOVERY (2017)
Pharos: Collating protein information to shed light on the druggable genome
Dac-Trung Nguyen et al.
NUCLEIC ACIDS RESEARCH (2017)
The ChEMBL database in 2017
Anna Gaulton et al.
NUCLEIC ACIDS RESEARCH (2017)
KEGG: new perspectives on genomes, pathways, diseases and drugs
Minoru Kanehisa et al.
NUCLEIC ACIDS RESEARCH (2017)
Drug-Target Interaction Prediction with Graph Regularized Matrix Factorization
Ali Ezzat et al.
IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS (2017)
Identification of drug-target interactions via multiple information integration
Yijie Ding et al.
INFORMATION SCIENCES (2017)
An Ameliorated Prediction of Drug-Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features
Cong Shen et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2017)
Quantitative and Systems Pharmacology. 1. In Silico Prediction of Drug-Target Interactions of Natural Products Enables New Targeted Cancer Therapy
Jiansong Fang et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2017)
Deep-Learning-Based Drug-Target Interaction Prediction
Ming Wen et al.
JOURNAL OF PROTEOME RESEARCH (2017)
Drug-target interaction prediction using ensemble learning and dimensionality reduction
Ali Ezzat et al.
METHODS (2017)
Prediction of Drug-Target Interaction Networks from the Integration of Protein Sequences and Drug Chemical Structures
Fan-Rong Meng et al.
MOLECULES (2017)
Drug-Target Interaction Prediction through Label Propagation with Linear Neighborhood Information
Wen Zhang et al.
MOLECULES (2017)
DrugRPE: Random projection ensemble approach to drug-target interaction prediction
Jun Zhang et al.
NEUROCOMPUTING (2017)
Drug-target interaction prediction with Bipartite Local Models and hubness-aware regression
Krisztian Buza et al.
NEUROCOMPUTING (2017)
DGIdb 3.0: a redesign and expansion of the drug–gene interaction database
Kelsy C Cotto et al.
NUCLEIC ACIDS RESEARCH (2017)
A network integration approach for drug-target interaction prediction and computational drug repositioning from heterogeneous information
Yunan Luo et al.
NATURE COMMUNICATIONS (2017)
SimBoost: a read-across approach for predicting drug-target binding affinities using gradient boosting machines
Tong He et al.
JOURNAL OF CHEMINFORMATICS (2017)
iDTI-ESBoost: Identification of Drug Target Interaction Using Evolutionary and Structural Features with Boosting
Farshid Rayhan et al.
SCIENTIFIC REPORTS (2017)
Predicting Drug-Target Interactions With Multi-Information Fusion
Lihong Peng et al.
IEEE JOURNAL OF BIOMEDICAL AND HEALTH INFORMATICS (2017)
Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space
Antonio Peon et al.
SCIENTIFIC REPORTS (2017)
In silico prediction of drug-target interaction networks based on drug chemical structure and protein sequences
Zhengwei Li et al.
SCIENTIFIC REPORTS (2017)
Drug-target interaction prediction: A Bayesian ranking approach
Ladislav Peska et al.
COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE (2017)
Improved prediction of protein-protein interactions using novel negative samples, features, and an ensemble classifier
Leyi Wei et al.
ARTIFICIAL INTELLIGENCE IN MEDICINE (2017)
VB-MK-LMF: fusion of drugs, targets and interactions using variational Bayesian multiple kernel logistic matrix factorization
Bence Bolgar et al.
BMC BIOINFORMATICS (2017)
Deep mining heterogeneous networks of biomedical linked data to predict novel drug-target associations
Nansu Zong et al.
BIOINFORMATICS (2017)
Drug-target interaction prediction by integrating multiview network data
Xin Zhang et al.
COMPUTATIONAL BIOLOGY AND CHEMISTRY (2017)
A kernel matrix dimension reduction method for predicting drug-target interaction
Qifan Kuang et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2017)
PDID: database of molecular-level putative protein-drug interactions in the structural human proteome
Chen Wang et al.
BIOINFORMATICS (2016)
Drug-target interaction prediction: databases, web servers and computational models
Xing Chen et al.
BRIEFINGS IN BIOINFORMATICS (2016)
6 Deep Learning in Drug Discovery
Erik Gawehn et al.
MOLECULAR INFORMATICS (2016)
Integrated interactions database: tissue-specific view of the human and model organism interactomes
Max Kotlyar et al.
NUCLEIC ACIDS RESEARCH (2016)
STITCH 5: augmenting protein-chemical interaction networks with tissue and affinity data
Damian Szklarczyk et al.
NUCLEIC ACIDS RESEARCH (2016)
DGIdb 2.0: mining clinically relevant drug-gene interactions
Alex H. Wagner et al.
NUCLEIC ACIDS RESEARCH (2016)
BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology
Michael K. Gilson et al.
NUCLEIC ACIDS RESEARCH (2016)
The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands
Christopher Southan et al.
NUCLEIC ACIDS RESEARCH (2016)
PubChem Substance and Compound databases
Sunghwan Kim et al.
NUCLEIC ACIDS RESEARCH (2016)
Improved prediction of drug-target interactions using regularized least squares integrating with kernel fusion technique
Ming Hao et al.
ANALYTICA CHIMICA ACTA (2016)
DrugE-Rank: improving drug-target interaction prediction of new candidate drugs or targets by ensemble learning to rank
Qingjun Yuan et al.
BIOINFORMATICS (2016)
Drug-target interaction prediction via class imbalance-aware ensemble learning
Ali Ezzat et al.
BMC BIOINFORMATICS (2016)
Predicting drug target interactions using meta-path-based semantic network analysis
Gang Fu et al.
BMC BIOINFORMATICS (2016)
A multiple kernel learning algorithm for drug-target interaction prediction
Andre C. A. Nascimento et al.
BMC BIOINFORMATICS (2016)
An Empirical Study of Features Fusion Techniques for Protein-Protein Interaction Prediction
Jiancang Zeng et al.
CURRENT BIOINFORMATICS (2016)
DrugMiner: comparative analysis of machine learning algorithms for prediction of potential druggable proteins
Ali Akbar Jamali et al.
DRUG DISCOVERY TODAY (2016)
Predicting drug-target interaction using positive-unlabeled learning
Wei Lan et al.
NEUROCOMPUTING (2016)
The Next Era: Deep Learning in Pharmaceutical Research
Sean Ekins
PHARMACEUTICAL RESEARCH (2016)
ChemProt-3.0: a global chemical biology diseases mapping
Jens Kringelum et al.
DATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION (2016)
The harmonizome: a collection of processed datasets gathered to serve and mine knowledge about genes and proteins
Andrew D. Rouillard et al.
DATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION (2016)
DASPfind: new efficient method to predict drug-target interactions
Wail Ba-Alawi et al.
JOURNAL OF CHEMINFORMATICS (2016)
Drug-target interaction prediction from PSSM based evolutionary information
Zaynab Mousavian et al.
JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS (2016)
Neighborhood Regularized Logistic Matrix Factorization for Drug-Target Interaction Prediction
Yong Liu et al.
PLOS COMPUTATIONAL BIOLOGY (2016)
Representative Vector Machines: A Unified Framework for Classical Classifiers
Jie Gui et al.
IEEE TRANSACTIONS ON CYBERNETICS (2016)
Improved genome-scale multi-target virtual screening via a novel collaborative filtering approach to cold-start problem
Hansaim Lim et al.
SCIENTIFIC REPORTS (2016)
Improving compound-protein interaction prediction by building up highly credible negative samples
Hui Liu et al.
BIOINFORMATICS (2015)
Machine-learning approaches in drug discovery: methods and applications
Antonio Lavecchia
DRUG DISCOVERY TODAY (2015)
Drug repositioning and repurposing: terminology and definitions in literature
Joris Langedijk et al.
DRUG DISCOVERY TODAY (2015)
Identification of drug candidates and repurposing opportunities through compound-target interaction networks
Anna Cichonska et al.
EXPERT OPINION ON DRUG DISCOVERY (2015)
Nearest neighbor regression in the presence of bad hubs
Krisztian Buza et al.
KNOWLEDGE-BASED SYSTEMS (2015)
Predicting drug-target interaction for new drugs using enhanced similarity measures and super-target clustering
Jian-Yu Shi et al.
METHODS (2015)
Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules
Shardul Paricharak et al.
JOURNAL OF CHEMINFORMATICS (2015)
Optimizing drug-target interaction prediction based on random walk on heterogeneous networks
Abhik Seal et al.
JOURNAL OF CHEMINFORMATICS (2015)
An eigenvalue transformation technique for predicting drug-target interaction
Qifan Kuang et al.
SCIENTIFIC REPORTS (2015)
A Survey on the Computational Approaches to Identify Drug Targets in the Postgenomic Era
Yan-Fen Dai et al.
BIOMED RESEARCH INTERNATIONAL (2015)
PDB-wide collection of binding data: current status of the PDBbind database
Zhihai Liu et al.
BIOINFORMATICS (2015)
Toward more realistic drug-target interaction predictions
Tapio Pahikkala et al.
BRIEFINGS IN BIOINFORMATICS (2015)
MatrixDB, the extracellular matrix interaction database: updated content, a new navigator and expanded functionalities
G. Launay et al.
NUCLEIC ACIDS RESEARCH (2015)
Similarity-based machine learning methods for predicting drug-target interactions: a brief review
Hao Ding et al.
BRIEFINGS IN BIOINFORMATICS (2014)
Drug-target interaction prediction via chemogenomic space: learning-based methods
Zaynab Mousavian et al.
EXPERT OPINION ON DRUG METABOLISM & TOXICOLOGY (2014)
Making Sense of Large-Scale Kinase Inhibitor Bioactivity Data Sets: A Comparative and Integrative Analysis
Jing Tang et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
Computational Prediction of Drug-Target Interactions Using Chemical, Biological, and Network Features
Dong-Sheng Cao et al.
MOLECULAR INFORMATICS (2014)
eFindSite: Enhanced Fingerprint-Based Virtual Screening Against Predicted Ligand Binding Sites in Protein Models
Wei P. Feinstein et al.
MOLECULAR INFORMATICS (2014)
The MIntAct project-IntAct as a common curation platform for 11 molecular interaction databases
Sandra Orchard et al.
NUCLEIC ACIDS RESEARCH (2014)
DrugBank 4.0: shedding new light on drug metabolism
Vivian Law et al.
NUCLEIC ACIDS RESEARCH (2014)
The IUPHAR/BPS Guide to PHARMACOLOGY: an expert-driven knowledgebase of drug targets and their ligands
Adam J. Pawson et al.
NUCLEIC ACIDS RESEARCH (2014)
The ChEMBL bioactivity database: an update
A. Patricia Bento et al.
NUCLEIC ACIDS RESEARCH (2014)
STITCH 4: integration of protein-chemical interactions with user data
Michael Kuhn et al.
NUCLEIC ACIDS RESEARCH (2014)
DINIES: drug-target interaction network inference engine based on supervised analysis
Yoshihiro Yamanishi et al.
NUCLEIC ACIDS RESEARCH (2014)
Drug-target interaction prediction by learning from local information and neighbors
Jian-Ping Mei et al.
BIOINFORMATICS (2013)
Drug-target interaction prediction through domain-tuned network-based inference
Salvatore Alaimo et al.
BIOINFORMATICS (2013)
Predicting drug-target interactions using restricted Boltzmann machines
Yuhao Wang et al.
BIOINFORMATICS (2013)
Scalable prediction of compound-protein interactions using minwise hashing
Yasuo Tabei et al.
BMC SYSTEMS BIOLOGY (2013)
PyDPI: Freely Available Python Package for Chemoinformatics, Bioinformatics, and Chemogenomics Studies
Dong-Sheng Cao et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)
In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naive Bayes and Parzen-Rosenblatt Window
Alexios Koutsoukas et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)
Prediction of Polypharmacological Profiles of Drugs by the Integration of Chemical, Side Effect, and Therapeutic Space
Feixiong Cheng et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)
Predicting Drug-Target Interactions Using Probabilistic Matrix Factorization
Murat Can Cobanoglu et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)
eFindSite: Improved prediction of ligand binding sites in protein models using meta-threading, machine learning and auxiliary ligands
Michal Brylinski et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2013)
A feature extraction technique using bi-gram probabilities of position specific scoring matrix for protein fold recognition
Alok Sharma et al.
JOURNAL OF THEORETICAL BIOLOGY (2013)
Efficient regularized least-squares algorithms for conditional ranking on relational data
Tapio Pahikkala et al.
MACHINE LEARNING (2013)
DGIdb: mining the druggable genome
Malachi Griffith et al.
NATURE METHODS (2013)
ChemProt-2.0: visual navigation in a disease chemical biology database
Sonny Kim Kjaerulff et al.
NUCLEIC ACIDS RESEARCH (2013)
InnateDB: systems biology of innate immunity and beyond-recent updates and continuing curation
Karin Breuer et al.
NUCLEIC ACIDS RESEARCH (2013)
Predicting Drug-Target Interactions for New Drug Compounds Using a Weighted Nearest Neighbor Profile
Twan van Laarhoven et al.
PLOS ONE (2013)
Drug Target Prediction and Repositioning Using an Integrated Network-Based Approach
Dorothea Emig et al.
PLOS ONE (2013)
Genome-Scale Screening of Drug-Target Associations Relevant to Ki Using a Chemogenomics Approach
Dong-Sheng Cao et al.
PLOS ONE (2013)
iGPCR-Drug: A Web Server for Predicting Interaction between GPCRs and Drugs in Cellular Networking
Xuan Xiao et al.
PLOS ONE (2013)
Predicting Drug-Target Interactions Using Drug-Drug Interactions
Shinhyuk Kim et al.
PLOS ONE (2013)
Drug repositioning: a machine-learning approach through data integration
Francesco Napolitano et al.
JOURNAL OF CHEMINFORMATICS (2013)
Content-Boosted Matrix Factorization Techniques for Recommender Systems
Jennifer Nguyen et al.
STATISTICAL ANALYSIS AND DATA MINING (2013)
Large-scale prediction of drug-target interactions using protein sequences and drug topological structures
Dong-Sheng Cao et al.
ANALYTICA CHIMICA ACTA (2012)
COPICAT: a software system for predicting interactions between proteins and chemical compounds
Yasubumi Sakakibara et al.
BIOINFORMATICS (2012)
Identification of chemogenomic features from drug-target interaction networks using interpretable classifiers
Yasuo Tabei et al.
BIOINFORMATICS (2012)
Drug target prediction using adverse event report systems: a pharmacogenomic approach
Masataka Takarabe et al.
BIOINFORMATICS (2012)
Predicting drug-target interactions from chemical and genomic kernels using Bayesian matrix factorization
Mehmet Gonen
BIOINFORMATICS (2012)
BindingDB: A Protein-Ligand Database for Drug Discovery
George Nicola et al.
BIOPHYSICAL JOURNAL (2012)
Drug discovery in the age of systems biology: the rise of computational approaches for data integration
Murat Iskar et al.
CURRENT OPINION IN BIOTECHNOLOGY (2012)
A novel signal detection algorithm for identifying hidden drug-drug interactions in adverse event reports
Nicholas P. Tatonetti et al.
JOURNAL OF THE AMERICAN MEDICAL INFORMATICS ASSOCIATION (2012)
Drug-target interaction prediction by random walk on the heterogeneous network
Xing Chen et al.
MOLECULAR BIOSYSTEMS (2012)
Large-scale prediction and testing of drug activity on side-effect targets
Eugen Lounkine et al.
NATURE (2012)
Protein interaction data curation: the International Molecular Exchange (IMEx) consortium
Sandra Orchard et al.
NATURE METHODS (2012)
MINT, the molecular interaction database: 2012 update
Luana Licata et al.
NUCLEIC ACIDS RESEARCH (2012)
The UniProt-GO Annotation database in 2011
Emily C. Dimmer et al.
NUCLEIC ACIDS RESEARCH (2012)
STITCH 3: zooming in on protein-chemical interactions
Michael Kuhn et al.
NUCLEIC ACIDS RESEARCH (2012)
ChEMBL: a large-scale bioactivity database for drug discovery
Anna Gaulton et al.
NUCLEIC ACIDS RESEARCH (2012)
A Systematic Prediction of Multiple Drug-Target Interactions from Chemical, Genomic, and Pharmacological Data
Hua Yu et al.
PLOS ONE (2012)
Finding Protein Targets for Small Biologically Relevant Ligands across Fold Space Using Inverse Ligand Binding Predictions
Gang Hu et al.
STRUCTURE (2012)
Developing a biocuration workflow for AgBase, a non- model organism database
Lakshmi Pillai et al.
DATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION (2012)
Assessing Drug Target Association Using Semantic Linked Data
Bin Chen et al.
PLOS COMPUTATIONAL BIOLOGY (2012)
Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference
Feixiong Cheng et al.
PLOS COMPUTATIONAL BIOLOGY (2012)
Drug repositioning for personalized medicine
Yvonne Y. Li et al.
GENOME MEDICINE (2012)
Gaussian interaction profile kernels for predicting drug-target interaction
Twan van Laarhoven et al.
BIOINFORMATICS (2011)
Predicting drug side-effect profiles: a chemical fragment-based approach
Edouard Pauwels et al.
BMC BIOINFORMATICS (2011)
Identify drug repurposing candidates by mining the Protein Data Bank
Fabrice Moriaud et al.
BRIEFINGS IN BIOINFORMATICS (2011)
Mining small-molecule screens to repurpose drugs
S. Joshua Swamidass
BRIEFINGS IN BIOINFORMATICS (2011)
Exploiting drug-disease relationships for computational drug repositioning
Joel T. Dudley et al.
BRIEFINGS IN BIOINFORMATICS (2011)
Detecting Drug Interactions From Adverse-Event Reports: Interaction Between Paroxetine and Pravastatin Increases Blood Glucose Levels
N. P. Tatonetti et al.
CLINICAL PHARMACOLOGY & THERAPEUTICS (2011)
Using the TOPS-MODE approach to fit multi-target QSAR models for tyrosine kinases inhibitors
Giovanni Marzaro et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2011)
Identifying Compound-Target Associations by Combining Bioactivity Profile Similarity Search and Public Databases Mining
Tiejun Cheng et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
Extracting Sets of Chemical Substructures and Protein Domains Governing Drug-Target Interactions
Yoshihiro Yamanishi et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
Combining Drug and Gene Similarity Measures for Drug-Target Elucidation
Liat Perlman et al.
JOURNAL OF COMPUTATIONAL BIOLOGY (2011)
An Algorithmic Framework for Predicting Side Effects of Drugs
Nir Atias et al.
JOURNAL OF COMPUTATIONAL BIOLOGY (2011)
PaDEL-Descriptor: An Open Source Software to Calculate Molecular Descriptors and Fingerprints
Chun Wei Yap
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
A Unified, Probabilistic Framework for Structure- and Ligand-Based Virtual Screening
Steven L. Swann et al.
JOURNAL OF MEDICINAL CHEMISTRY (2011)
MIND-BEST: Web Server for Drugs and Target Discovery; Design, Synthesis, and Assay of MAO-B Inhibitors and Theoretical-Experimental Study of G3PDH Protein from Trichomonas gallinae
Humberto Gonzalez-Diaz et al.
JOURNAL OF PROTEOME RESEARCH (2011)
From in silico target prediction to multi-target drug design: Current databases, methods and applications
Alexios Koutsoukas et al.
JOURNAL OF PROTEOMICS (2011)
Regression shrinkage and selection via the lasso: a retrospective
Robert Tibshirani
JOURNAL OF THE ROYAL STATISTICAL SOCIETY SERIES B-STATISTICAL METHODOLOGY (2011)
Analysis of multiple compound-protein interactions reveals novel bioactive molecules
Hiroaki Yabuuchi et al.
MOLECULAR SYSTEMS BIOLOGY (2011)
PREDICT: a method for inferring novel drug indications with application to personalized medicine
Assaf Gottlieb et al.
MOLECULAR SYSTEMS BIOLOGY (2011)
Comprehensive analysis of kinase inhibitor selectivity
Mindy I. Davis et al.
NATURE BIOTECHNOLOGY (2011)
Navigating the kinome
James T. Metz et al.
NATURE CHEMICAL BIOLOGY (2011)
Link prediction in complex networks: A survey
Linyuan Lue et al.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS (2011)
AgBase: supporting functional modeling in agricultural organisms
Fiona M. McCarthy et al.
NUCLEIC ACIDS RESEARCH (2011)
Computational Repositioning of the Anticonvulsant Topiramate for Inflammatory Bowel Disease
Joel T. Dudley et al.
SCIENCE TRANSLATIONAL MEDICINE (2011)
Discovery and Preclinical Validation of Drug Indications Using Compendia of Public Gene Expression Data
Marina Sirota et al.
SCIENCE TRANSLATIONAL MEDICINE (2011)
Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets
Gerard J. P. van Westen et al.
MEDCHEMCOMM (2011)
Open Babel: An open chemical toolbox
Noel M. O'Boyle et al.
JOURNAL OF CHEMINFORMATICS (2011)
Exploring Off-Targets and Off-Systems for Adverse Drug Reactions via Chemical-Protein Interactome - Clozapine-Induced Agranulocytosis as a Case Study
Lun Yang et al.
PLOS COMPUTATIONAL BIOLOGY (2011)
A Computational Approach to Finding Novel Targets for Existing Drugs
Yvonne Y. Li et al.
PLOS COMPUTATIONAL BIOLOGY (2011)
Drug Discovery Using Chemical Systems Biology: Weak Inhibition of Multiple Kinases May Contribute to the Anti-Cancer Effect of Nelfinavir
Li Xie et al.
PLOS COMPUTATIONAL BIOLOGY (2011)
Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework
Yoshihiro Yamanishi et al.
BIOINFORMATICS (2010)
Semi-supervised drug-protein interaction prediction from heterogeneous biological spaces
Zheng Xia et al.
BMC SYSTEMS BIOLOGY (2010)
Convex and Semi-Nonnegative Matrix Factorizations
Chris Ding et al.
IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE (2010)
Ranking Chemical Structures for Drug Discovery: A New Machine Learning Approach
Shivani Agarwal et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)
Computationally Probing Drug-Protein Interactions Via Support Vector Machine
Yong-Cui Wang et al.
LETTERS IN DRUG DESIGN & DISCOVERY (2010)
STITCH 2: an interaction network database for small molecules and proteins
Michael Kuhn et al.
NUCLEIC ACIDS RESEARCH (2010)
MINT, the molecular interaction database: 2009 update
Arnaud Ceol et al.
NUCLEIC ACIDS RESEARCH (2010)
Predicting Drug-Target Interaction Networks Based on Functional Groups and Biological Features
Zhisong He et al.
PLOS ONE (2010)
Discovery of drug mode of action and drug repositioning from transcriptional responses
Francesco Iorio et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
Solving the apparent diversity-accuracy dilemma of recommender systems
Tao Zhou et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
Supervised prediction of drug-target interactions using bipartite local models
Kevin Bleakley et al.
BIOINFORMATICS (2009)
Generating Genome-Scale Candidate Gene Lists for Pharmacogenomics
N. T. Hansen et al.
CLINICAL PHARMACOLOGY & THERAPEUTICS (2009)
Systematic Evaluation of Drug-Disease Relationships to Identify Leads for Novel Drug Uses
A. P. Chiang et al.
CLINICAL PHARMACOLOGY & THERAPEUTICS (2009)
Exact Matrix Completion via Convex Optimization
Emmanuel J. Candes et al.
FOUNDATIONS OF COMPUTATIONAL MATHEMATICS (2009)
Ligand Prediction for Orphan Targets Using Support Vector Machines and Various Target-Ligand Kernels Is Dominated by Nearest Neighbor Effects
Anne Mai Wassermann et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Mapping Adverse Drug Reactions in Chemical Space
Josef Scheiber et al.
JOURNAL OF MEDICINAL CHEMISTRY (2009)
Predicting new molecular targets for known drugs
Michael J. Keiser et al.
NATURE (2009)
Drug Discovery Using Chemical Systems Biology: Repositioning the Safe Medicine Comtan to Treat Multi-Drug and Extensively Drug Resistant Tuberculosis
Sarah L. Kinnings et al.
PLOS COMPUTATIONAL BIOLOGY (2009)
Integrating Statistical Predictions and Experimental Verifications for Enhancing Protein-Chemical Interaction Predictions in Virtual Screening
Nobuyoshi Nagamine et al.
PLOS COMPUTATIONAL BIOLOGY (2009)
Building Disease-Specific Drug-Protein Connectivity Maps from Molecular Interaction Networks and PubMed Abstracts
Jiao Li et al.
PLOS COMPUTATIONAL BIOLOGY (2009)
Walking the interactome for prioritization of candidate disease genes
Sebastian Koehler et al.
AMERICAN JOURNAL OF HUMAN GENETICS (2008)
Protein-ligand interaction prediction: an improved chemogenomics approach
Laurent Jacob et al.
BIOINFORMATICS (2008)
Prediction of drug-target interaction networks from the integration of chemical and genomic spaces
Yoshihiro Yamanishi et al.
BIOINFORMATICS (2008)
Large-scale prediction of drug-target relationships
Michael Kuhn et al.
FEBS LETTERS (2008)
Finding multiple target optimal intervention in disease-related molecular network
Kun Yang et al.
MOLECULAR SYSTEMS BIOLOGY (2008)
A modular approach for integrative analysis of large-scale gene-expression and drug-response data
Zoltan Kutalik et al.
NATURE BIOTECHNOLOGY (2008)
Network pharmacology: the next paradigm in drug discovery
Andrew L. Hopkins
NATURE CHEMICAL BIOLOGY (2008)
Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments
Lei Xie et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
Drug target identification using side-effect similarity
Monica Campillos et al.
SCIENCE (2008)
Genome scale enzyme-metabolite and drug-target interaction predictions using the signature molecular descriptor
Jean-Loup Faulon et al.
BIOINFORMATICS (2008)
KEGG for linking genomes to life and the environment
Minoru Kanehisa et al.
NUCLEIC ACIDS RESEARCH (2008)
STITCH: interaction networks of chemicals and proteins
Michael Kuhn et al.
NUCLEIC ACIDS RESEARCH (2008)
SuperTarget and Matador: resources for exploring drug-target relationships
Stefan Guenther et al.
NUCLEIC ACIDS RESEARCH (2008)
Bipartite network projection and personal recommendation
Tao Zhou et al.
PHYSICAL REVIEW E (2007)
Drug-target network
Muhammed A. Yildirim et al.
NATURE BIOTECHNOLOGY (2007)
Statistical prediction of protein-chemical interactions based on chemical structure and mass spectrometry data
Nobuyoshi Nagamine et al.
BIOINFORMATICS (2007)
Supervised reconstruction of biological networks with local models
Kevin Bleakley et al.
BIOINFORMATICS (2007)
Predictina protein-protein interactions based only on sequences information
Juwen Shen et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Relating protein pharmacology by ligand chemistry
Michael J. Keiser et al.
NATURE BIOTECHNOLOGY (2007)
Chemogenomic approaches to rational drug design
D. Rognan
BRITISH JOURNAL OF PHARMACOLOGY (2007)
The connectivity map: Using gene-expression signatures to connect small molecules, genes, and disease
Justin Lamb et al.
SCIENCE (2006)
AgBase: a functional genomics resource for agriculture
Fiona M. McCarthy et al.
BMC GENOMICS (2006)
Predicting cancer drug response by proteomic profiling
Yan Ma et al.
CLINICAL CANCER RESEARCH (2006)
Reducing the dimensionality of data with neural networks
G. E. Hinton et al.
SCIENCE (2006)
TarFisDock: a web server for identifying drug targets with docking approach
Honglin Li et al.
NUCLEIC ACIDS RESEARCH (2006)
Extremely randomized trees
P Geurts et al.
MACHINE LEARNING (2006)
DrugBank: a comprehensive resource for in silico drug discovery and exploration
David S. Wishart et al.
NUCLEIC ACIDS RESEARCH (2006)
From genomics to chemical genomics: new developments in KEGG
Minoru Kanehisa et al.
NUCLEIC ACIDS RESEARCH (2006)
Generalized low rank approximations of matrices
JP Ye
MACHINE LEARNING (2005)
In vitro safety pharmacology profiling:: an essential tool for successful drug development
S Whitebread et al.
DRUG DISCOVERY TODAY (2005)
Feature selection based on mutual information: Criteria of max-dependency, max-relevance, and min-redundancy
HC Peng et al.
IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE (2005)
Graph kernels for molecular structure-activity relationship analysis with support vector machines
P Mahé et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2005)
Toward the next generation of recommender systems: A survey of the state-of-the-art and possible extensions
G Adomavicius et al.
IEEE TRANSACTIONS ON KNOWLEDGE AND DATA ENGINEERING (2005)
SuperLigands - a database of ligand structures derived from the Protein Data Bank
E Michalsky et al.
BMC BIOINFORMATICS (2005)
Virtual screen for ligands of orphan G protein-coupled receptors
JR Bock et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2005)
BRENDA, the enzyme database: updates and major new developments
I Schomburg et al.
NUCLEIC ACIDS RESEARCH (2004)
Screening the receptorome to discover the molecular targets for plant-derived psychoactive compounds: a novel approach for CNS drug discovery
BL Roth et al.
PHARMACOLOGY & THERAPEUTICS (2004)
Comparison of support vector machine and artificial neural network systems for drug/nondrug classification
E Byvatov et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)
Predicting ADME properties in silico:: methods and models
D Butina et al.
DRUG DISCOVERY TODAY (2002)
MINT: a Molecular INTeraction database
A Zanzoni et al.
FEBS LETTERS (2002)
PharmGKB: The Pharmacogenetics Knowledge Base
M Hewett et al.
NUCLEIC ACIDS RESEARCH (2002)
TTD: Therapeutic Target Database
X Chen et al.
NUCLEIC ACIDS RESEARCH (2002)
The multiplicity of serotonin receptors: Uselessly diverse molecules or an embarrassment of riches?
BL Roth et al.
NEUROSCIENTIST (2000)
分享论文
