FAF-Drugs3: a web server for compound property calculation and chemical library design
出版年份 2015 全文链接
标题
FAF-Drugs3: a web server for compound property calculation and chemical library design
作者
关键词
-
出版物
NUCLEIC ACIDS RESEARCH
Volume 43, Issue W1, Pages W200-W207
出版商
Oxford University Press (OUP)
发表日期
2015-04-17
DOI
10.1093/nar/gkv353
参考文献
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- (2015) Shane M. Devine et al. JOURNAL OF MEDICINAL CHEMISTRY
- Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical Candidates
- (2014) Bradley Croy Doak et al. CHEMISTRY & BIOLOGY
- How Does the Quality of Phospholipidosis Data Influence the Predictivity of Structural Alerts?
- (2014) Katarzyna R. Przybylak et al. Journal of Chemical Information and Modeling
- Chemistry: Chemical con artists foil drug discovery
- (2014) Jonathan Baell et al. NATURE
- ProTox: a web server for the in silico prediction of rodent oral toxicity
- (2014) Malgorzata N. Drwal et al. NUCLEIC ACIDS RESEARCH
- iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein–protein interactions
- (2013) Céline M. Labbé et al. DRUG DISCOVERY TODAY
- One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade
- (2013) Bruno O. Villoutreix et al. DRUG DISCOVERY TODAY
- Locating Sweet Spots for Screening Hits and Evaluating Pan-Assay Interference Filters from the Performance Analysis of Two Lead-like Libraries
- (2013) N. Yi Mok et al. Journal of Chemical Information and Modeling
- Chemical predictive modelling to improve compound quality
- (2013) John G. Cumming et al. NATURE REVIEWS DRUG DISCOVERY
- e-Drug3D: 3D structure collections dedicated to drug repurposing and fragment-based drug design
- (2012) Emilie Pihan et al. BIOINFORMATICS
- Rules for Identifying Potentially Reactive or Promiscuous Compounds
- (2012) Robert F. Bruns et al. JOURNAL OF MEDICINAL CHEMISTRY
- In Silico Prediction of Aqueous Solubility: A Multimodel Protocol Based on Chemical Similarity
- (2012) Florent Chevillard et al. MOLECULAR PHARMACEUTICS
- The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections
- (2011) David Lagorce et al. BIOINFORMATICS
- Structural Alert/Reactive Metabolite Concept as Applied in Medicinal Chemistry to Mitigate the Risk of Idiosyncratic Drug Toxicity: A Perspective Based on the Critical Examination of Trends in the Top 200 Drugs Marketed in the United States
- (2011) Antonia F. Stepan et al. CHEMICAL RESEARCH IN TOXICOLOGY
- Mechanisms of Chemical Carcinogenicity and Mutagenicity: A Review with Implications for Predictive Toxicology
- (2011) Romualdo Benigni et al. CHEMICAL REVIEWS
- Recent Advances on Aqueous Solubility Prediction
- (2011) Junmei Wang et al. COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING
- A review of the electrophilic reaction chemistry involved in covalent protein binding relevant to toxicity
- (2011) S. J. Enoch et al. CRITICAL REVIEWS IN TOXICOLOGY
- Probing the Probes: Fitness Factors For Small Molecule Tools
- (2010) Paul Workman et al. CHEMISTRY & BIOLOGY
- Getting physical in drug discovery: a contemporary perspective on solubility and hydrophobicity
- (2010) Alan P. Hill et al. DRUG DISCOVERY TODAY
- From Structure Diagrams to Visual Chemical Patterns
- (2010) Karen Schomburg et al. Journal of Chemical Information and Modeling
- New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
- (2010) Jonathan B. Baell et al. JOURNAL OF MEDICINAL CHEMISTRY
- Frog2: Efficient 3D conformation ensemble generator for small compounds
- (2010) M. A. Miteva et al. NUCLEIC ACIDS RESEARCH
- Designing Focused Chemical Libraries Enriched in Protein-Protein Interaction Inhibitors using Machine-Learning Methods
- (2010) Christelle Reynès et al. PLoS Computational Biology
- Mobyle: a new full web bioinformatics framework
- (2009) B. Neron et al. BIOINFORMATICS
- Analysis of the Calculated Physicochemical Properties of Respiratory Drugs: Can We Design for Inhaled Drugs Yet?
- (2009) Timothy J. Ritchie et al. Journal of Chemical Information and Modeling
- Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success
- (2009) Frank Lovering et al. JOURNAL OF MEDICINAL CHEMISTRY
- The influence of lead discovery strategies on the properties of drug candidates
- (2009) György M. Keserü et al. NATURE REVIEWS DRUG DISCOVERY
- Assessment of the blood–brain barrier in CNS drug discovery
- (2009) Phil Jeffrey et al. NEUROBIOLOGY OF DISEASE
- Physiochemical drug properties associated with in vivo toxicological outcomes
- (2008) Jason D. Hughes et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
- (2008) Noel M O'Boyle et al. Chemistry Central Journal
- Generation of a Set of Simple, Interpretable ADMET Rules of Thumb
- (2008) M. Paul Gleeson JOURNAL OF MEDICINAL CHEMISTRY
- Aggregator compounds confound amyloid fibrillization assay
- (2008) Gilbert M Rishton Nature Chemical Biology
- Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases
- (2007) Ruth Brenk et al. ChemMedChem
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