QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery
Published 2018 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery
Authors
Keywords
-
Journal
Frontiers in Pharmacology
Volume 9, Issue -, Pages -
Publisher
Frontiers Media SA
Online
2018-11-13
DOI
10.3389/fphar.2018.01275
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity
- (2017) Marcelo N. Gomes et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Best Practices of Computer-Aided Drug Discovery: Lessons Learned from the Development of a Preclinical Candidate for Prostate Cancer with a New Mechanism of Action
- (2017) Fuqiang Ban et al. Journal of Chemical Information and Modeling
- Deep learning for computational chemistry
- (2017) Garrett B. Goh et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Antimalarial Drug Resistance: A Threat to Malaria Elimination
- (2017) Didier Menard et al. Cold Spring Harbor Perspectives in Medicine
- Malaria
- (2017) Margaret A. Phillips et al. Nature Reviews Disease Primers
- QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni
- (2016) Cleber C. Melo-Filho et al. Journal of Chemical Information and Modeling
- Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation
- (2016) Denis Fourches et al. Journal of Chemical Information and Modeling
- Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening
- (2016) Bruno J. Neves et al. JOURNAL OF MEDICINAL CHEMISTRY
- Influenza Neuraminidase Inhibitors: Synthetic Approaches, Derivatives and Biological Activity
- (2016) Pedro Laborda et al. MOLECULES
- Current status and prospects of HIV treatment
- (2016) Tomas Cihlar et al. Current Opinion in Virology
- Maximizing computational tools for successful drug discovery
- (2015) Chanin Nantasenamat et al. Expert Opinion on Drug Discovery
- Ligand-Based Virtual Screening in a Search for Novel Anti-HIV-1 Chemotypes
- (2015) Agata Kurczyk et al. Journal of Chemical Information and Modeling
- Discovery of Influenza A virus neuraminidase inhibitors using support vector machine and Naïve Bayesian models
- (2015) Wenwen Lian et al. MOLECULAR DIVERSITY
- Curation of chemogenomics data
- (2015) Denis Fourches et al. Nature Chemical Biology
- Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery
- (2015) Sean Ekins et al. PLoS Neglected Tropical Diseases
- Application of Quantitative Structure–Activity Relationship Models of 5-HT1A Receptor Binding to Virtual Screening Identifies Novel and Potent 5-HT1A Ligands
- (2014) Man Luo et al. Journal of Chemical Information and Modeling
- Human schistosomiasis
- (2014) Daniel G Colley et al. LANCET
- Machine learning methods in chemoinformatics
- (2014) John B. O. Mitchell Wiley Interdisciplinary Reviews-Computational Molecular Science
- The holistic integration of virtual screening in drug discovery
- (2013) Yusuf Tanrikulu et al. DRUG DISCOVERY TODAY
- How far can virtual screening take us in drug discovery?
- (2013) Supratik Kar et al. Expert Opinion on Drug Discovery
- QSAR Modeling: Where Have You Been? Where Are You Going To?
- (2013) Artem Cherkasov et al. JOURNAL OF MEDICINAL CHEMISTRY
- Benchmarking Ligand-Based Virtual High-Throughput Screening with the PubChem Database
- (2013) Mariusz Butkiewicz et al. MOLECULES
- Discovery of 2-(2-Benzoxazoyl amino)-4-Aryl-5-Cyanopyrimidine as Negative Allosteric Modulators (NAMs) of Metabotropic Glutamate Receptor 5 (mGlu5): From an Artificial Neural Network Virtual Screen to an In Vivo Tool Compound
- (2012) Ralf Mueller et al. ChemMedChem
- The therapeutic potential of 5-HT1A receptors: a patent review
- (2012) Enza Lacivita et al. EXPERT OPINION ON THERAPEUTIC PATENTS
- Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening
- (2012) Liying Zhang et al. Journal of Chemical Information and Modeling
- Existing and Developing Approaches for QSAR Analysis of Mixtures
- (2012) Eugene N. Muratov et al. Molecular Informatics
- A quality alert and call for improved curation of public chemistry databases
- (2011) Antony J. Williams et al. DRUG DISCOVERY TODAY
- Computational chemistry in pharmaceutical research: at the crossroads
- (2011) Jürgen Bajorath JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Identification of Metabotropic Glutamate Receptor Subtype 5 Potentiators Using Virtual High-Throughput Screening
- (2010) Ralf Mueller et al. ACS Chemical Neuroscience
- Apparent activity in high-throughput screening: origins of compound-dependent assay interference
- (2010) Natasha Thorne et al. CURRENT OPINION IN CHEMICAL BIOLOGY
- Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research
- (2010) Denis Fourches et al. Journal of Chemical Information and Modeling
- Best Practices for QSAR Model Development, Validation, and Exploitation
- (2010) Alexander Tropsha Molecular Informatics
- Discovery of Novel Allosteric Modulators of Metabotropic Glutamate Receptor Subtype 5 Reveals Chemical and Functional Diversity and In Vivo Activity in Rat Behavioral Models of Anxiolytic and Antipsychotic Activity
- (2010) A. L. Rodriguez et al. MOLECULAR PHARMACOLOGY
- Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds
- (2009) Christopher Southan et al. Journal of Cheminformatics
- Serotonin Receptors
- (2008) David E. Nichols et al. CHEMICAL REVIEWS
- Are the Chemical Structures in Your QSAR Correct?
- (2008) Douglas Young et al. Quantitative structure-activity relationships & combinatorial science
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now