- Home
- Publications
- Publication Search
- Publication Details
Title
Computational/in silico methods in drug target and lead prediction
Authors
Keywords
-
Journal
BRIEFINGS IN BIOINFORMATICS
Volume -, Issue -, Pages -
Publisher
Oxford University Press (OUP)
Online
2019-07-24
DOI
10.1093/bib/bbz103
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Recent applications of machine learning in medicinal chemistry
- (2018) Jane Panteleev et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Machine learning in chemoinformatics and drug discovery
- (2018) Yu-Chen Lo et al. DRUG DISCOVERY TODAY
- The rise of deep learning in drug discovery
- (2018) Hongming Chen et al. DRUG DISCOVERY TODAY
- In silico identification of drug target pathways in breast cancer subtypes using pathway cross-talk inhibition
- (2018) Claudia Cava et al. Journal of Translational Medicine
- Current Concepts of Neurodegenerative Mechanisms in Alzheimer’s Disease
- (2018) Kasthuri Bai Magalingam et al. Biomed Research International
- Machine Learning for Integrating Data in Biology and Medicine: Principles, Practice, and Opportunities
- (2018) Marinka Zitnik et al. Information Fusion
- Machine Learning for Drug-Target Interaction Prediction
- (2018) Ruolan Chen et al. MOLECULES
- Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning
- (2018) Mahendra Awale et al. Journal of Chemical Information and Modeling
- Network-Based Methods for Prediction of Drug-Target Interactions
- (2018) Zengrui Wu et al. Frontiers in Pharmacology
- Computational Multitarget Drug Design
- (2017) Weilin Zhang et al. Journal of Chemical Information and Modeling
- An in silico strategy for identification of novel drug targets against Plasmodium falciparum
- (2017) Subhashree Rout et al. PARASITOLOGY RESEARCH
- A network integration approach for drug-target interaction prediction and computational drug repositioning from heterogeneous information
- (2017) Yunan Luo et al. Nature Communications
- The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data
- (2017) Mahendra Awale et al. Journal of Cheminformatics
- Machine Learning-Assisted Network Inference Approach to Identify a New Class of Genes that Coordinate the Functionality of Cancer Networks
- (2017) Mehrab Ghanat Bari et al. Scientific Reports
- Application of the Subtractive Genomics and Molecular Docking Analysis for the Identification of Novel Putative Drug Targets against Salmonella enterica subsp. enterica serovar Poona
- (2017) Tanvir Hossain et al. Biomed Research International
- Target-similarity search using Plasmodium falciparum proteome identifies approved drugs with anti-malarial activity and their possible targets
- (2017) Reagan M. Mogire et al. PLoS One
- Predictive approaches for drug combination discovery in cancer
- (2016) Seyed Ali Madani Tonekaboni et al. BRIEFINGS IN BIOINFORMATICS
- Leveraging big data to transform target selection and drug discovery
- (2016) B Chen et al. CLINICAL PHARMACOLOGY & THERAPEUTICS
- Current state and challenges for dynamic metabolic modeling
- (2016) Eleni Vasilakou et al. CURRENT OPINION IN MICROBIOLOGY
- Descriptors and their selection methods in QSAR analysis: paradigm for drug design
- (2016) Danishuddin et al. DRUG DISCOVERY TODAY
- Using reverse docking for target identification and its applications for drug discovery
- (2016) Aeri Lee et al. Expert Opinion on Drug Discovery
- Precision medicine, genomics and drug discovery: Table 1.
- (2016) Lon R. Cardon et al. HUMAN MOLECULAR GENETICS
- Improving chemical similarity ensemble approach in target prediction
- (2016) Zhonghua Wang et al. Journal of Cheminformatics
- A theoretical study on predicted protein targets of apple polyphenols and possible mechanisms of chemoprevention in colorectal cancer
- (2016) Bernardina Scafuri et al. Scientific Reports
- Computational approaches in target identification and drug discovery
- (2016) Theodora Katsila et al. Computational and Structural Biotechnology Journal
- Large-scale exploration and analysis of drug combinations
- (2015) Peng Li et al. BIOINFORMATICS
- Panel docking of small-molecule libraries — Prospects to improve efficiency of lead compound discovery
- (2015) Pakornwit Sarnpitak et al. BIOTECHNOLOGY ADVANCES
- Machine-learning approaches in drug discovery: methods and applications
- (2015) Antonio Lavecchia DRUG DISCOVERY TODAY
- Improvements, trends, and new ideas in molecular docking: 2012-2013 in review
- (2015) Elizabeth Yuriev et al. JOURNAL OF MOLECULAR RECOGNITION
- Large-Scale Chemical Similarity Networks for Target Profiling of Compounds Identified in Cell-Based Chemical Screens
- (2015) Yu-Chen Lo et al. PLoS Computational Biology
- In silico Prediction of Drug Metabolism by P450
- (2014) Carolina Andrade et al. CURRENT DRUG METABOLISM
- Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
- (2014) Maykel Cruz-Monteagudo et al. DRUG DISCOVERY TODAY
- Reverse docking: a powerful tool for drug repositioning and drug rescue
- (2014) Prashant S Kharkar et al. Future Medicinal Chemistry
- SwissTargetPrediction: a web server for target prediction of bioactive small molecules
- (2014) David Gfeller et al. NUCLEIC ACIDS RESEARCH
- Combining Machine Learning Systems and Multiple Docking Simulation Packages to Improve Docking Prediction Reliability for Network Pharmacology
- (2014) Kun-Yi Hsin et al. PLoS One
- Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus
- (2014) D. Reker et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Drug Resistance in Cancer: An Overview
- (2014) Genevieve Housman et al. Cancers
- Chemical informatics uncovers a new role for moexipril as a novel inhibitor of cAMP phosphodiesterase-4 (PDE4)
- (2013) Ryan T. Cameron et al. BIOCHEMICAL PHARMACOLOGY
- HitPick: a web server for hit identification and target prediction of chemical screenings
- (2013) X. Liu et al. BIOINFORMATICS
- Calmodulin as a Potential Target by Which Berberine Induces Cell Cycle Arrest in Human Hepatoma Bel7402 Cells
- (2013) Chao Ma et al. Chemical Biology & Drug Design
- Network-Based Approaches in Drug Discovery and Early Development
- (2013) J M Harrold et al. CLINICAL PHARMACOLOGY & THERAPEUTICS
- Genomics and transcriptomics in drug discovery
- (2013) Joaquin Dopazo DRUG DISCOVERY TODAY
- Relating Anatomical Therapeutic Indications by the Ensemble Similarity of Drug Sets
- (2013) Leihong Wu et al. Journal of Chemical Information and Modeling
- Machine Learning Prediction of Cancer Cell Sensitivity to Drugs Based on Genomic and Chemical Properties
- (2013) Michael P. Menden et al. PLoS One
- Inverse Virtual Screening allows the discovery of the biological activity of natural compounds
- (2012) Gianluigi Lauro et al. BIOORGANIC & MEDICINAL CHEMISTRY
- targetTB: A target identification pipeline for Mycobacterium tuberculosis through an interactome, reactome and genome-scale structural analysis
- (2012) Karthik Raman et al. BMC Systems Biology
- Large-scale prediction and testing of drug activity on side-effect targets
- (2012) Eugen Lounkine et al. NATURE
- Three-dimensional reconstruction of protein networks provides insight into human genetic disease
- (2012) Xiujuan Wang et al. NATURE BIOTECHNOLOGY
- idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach
- (2012) Jui-Chih Wang et al. NUCLEIC ACIDS RESEARCH
- Target discovery from data mining approaches
- (2011) Yongliang Yang et al. DRUG DISCOVERY TODAY
- Contribution of microarray data to the advancement of knowledge on the Mycobacterium tuberculosis interactome: Use of the random partial least squares approach
- (2011) Gaston K. Mazandu et al. INFECTION GENETICS AND EVOLUTION
- Robust Scoring Functions for Protein–Ligand Interactions with Quantum Chemical Charge Models
- (2011) Jui-Chih Wang et al. Journal of Chemical Information and Modeling
- Inverse Virtual Screening of Antitumor Targets: Pilot Study on a Small Database of Natural Bioactive Compounds
- (2011) Gianluigi Lauro et al. JOURNAL OF NATURAL PRODUCTS
- From in silico target prediction to multi-target drug design: Current databases, methods and applications
- (2011) Alexios Koutsoukas et al. Journal of Proteomics
- TDR Targets: a chemogenomics resource for neglected diseases
- (2011) M. P. Magarinos et al. NUCLEIC ACIDS RESEARCH
- The interprotein scoring noises in glide docking scores
- (2011) Wei Wang et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Identifying Causal Genes and Dysregulated Pathways in Complex Diseases
- (2011) Yoo-Ah Kim et al. PLoS Computational Biology
- Prediction of Drug Combinations by Integrating Molecular and Pharmacological Data
- (2011) Xing-Ming Zhao et al. PLoS Computational Biology
- A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking
- (2010) Pedro J. Ballester et al. BIOINFORMATICS
- TargetSpy: a supervised machine learning approach for microRNA target prediction
- (2010) Martin Sturm et al. BMC BIOINFORMATICS
- Antimalarial drug targets in Plasmodium falciparum predicted by stage-specific metabolic network analysis
- (2010) Carola Huthmacher et al. BMC Systems Biology
- Link prediction in complex networks: A survey
- (2010) Linyuan Lü et al. PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
- Target Fishing for Chemical Compounds Using Target-Ligand Activity Data and Ranking Based Methods
- (2009) Nikil Wale et al. Journal of Chemical Information and Modeling
- Selectively Nonselective Kinase Inhibition: Striking the Right Balance
- (2009) Richard Morphy JOURNAL OF MEDICINAL CHEMISTRY
- Predicting new molecular targets for known drugs
- (2009) Michael J. Keiser et al. NATURE
- Walking the Interactome for Prioritization of Candidate Disease Genes
- (2008) Sebastian Köhler et al. AMERICAN JOURNAL OF HUMAN GENETICS
- Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics
- (2008) Florian Nigsch et al. Journal of Chemical Information and Modeling
- Quantifying the Relationships among Drug Classes
- (2008) Jérôme Hert et al. Journal of Chemical Information and Modeling
- Network-based global inference of human disease genes
- (2008) Xuebing Wu et al. Molecular Systems Biology
- Network pharmacology: the next paradigm in drug discovery
- (2008) Andrew L Hopkins Nature Chemical Biology
- SuperPred: drug classification and target prediction
- (2008) M. Dunkel et al. NUCLEIC ACIDS RESEARCH
- Drug Target Identification Using Side-Effect Similarity
- (2008) M. Campillos et al. SCIENCE
- Turning promiscuous kinase inhibitors into safer drugs
- (2008) Xi Zhang et al. TRENDS IN BIOTECHNOLOGY
- Inferring Pathway Activity toward Precise Disease Classification
- (2008) Eunjung Lee et al. PLoS Computational Biology
Become a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get StartedAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started