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Extracting SAR Information from a Large Collection of Anti-Malarial Screening Hits by NSG-SPT Analysis

https://doi.org/10.1021/ml100240z
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1016/j.drudis.2006.06.006openalex-snapshot
Methods for mining HTS data
inferredcites →https://doi.org/10.1016/j.drudis.2009.04.003openalex-snapshot
Navigating structure–activity landscapes
inferredcites →https://doi.org/10.1016/j.drudis.2010.06.004openalex-snapshot
Data structures and computational tools for the extraction of SAR information from large compound sets
inferredcites →https://doi.org/10.1016/s1359-6446(99)01373-2openalex-snapshot
Visual exploration of HTS databases: bridging the gap between chemistry and biology
inferredcites →https://doi.org/10.1021/ci0000631openalex-snapshot
LeadScope: Software for Exploring Large Sets of Screening Data
inferredcites →https://doi.org/10.1021/ci0496954openalex-snapshot
Molecular Property eXplorer: A Novel Approach to Visualizing SAR Using Tree-Maps and Heatmaps
inferredcites →https://doi.org/10.1021/ci100050topenalex-snapshot
Extended-Connectivity Fingerprints
inferredcites →https://doi.org/10.1021/ci100197bopenalex-snapshot
Similarity−Potency Trees: A Method to Search for SAR Information in Compound Data Sets and Derive SAR Rules
inferredcites →https://doi.org/10.1021/ci8000887openalex-snapshot
Toward an Improved Clustering of Large Data Sets Using Maximum Common Substructures and Topological Fingerprints
inferredcites →https://doi.org/10.1021/ci900416aopenalex-snapshot
SARANEA: A Freely Available Program To Mine Structure−Activity and Structure−Selectivity Relationship Information in Compound Data Sets
inferredcites →https://doi.org/10.1021/jm100933wopenalex-snapshot
Activity Landscape Representations for Structure−Activity Relationship Analysis
inferredcites →https://doi.org/10.1021/jm800867gopenalex-snapshot
Structure−Activity Relationship Anatomy by Network-like Similarity Graphs and Local Structure−Activity Relationship Indices
inferredcites →https://doi.org/10.1038/nature09107openalex-snapshot
Thousands of chemical starting points for antimalarial lead identification
inferredcites →https://doi.org/10.1038/nbt1186openalex-snapshot
Statistical practice in high-throughput screening data analysis
inferredcites →https://doi.org/10.1093/nar/gkl999openalex-snapshot
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
inferredcites →https://doi.org/10.1145/1656274.1656278openalex-snapshot
The WEKA data mining software
inferredcites →https://doi.org/10.1177/1087057104271957openalex-snapshot
Evaluating Real-Life High-Throughput Screening Data

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/9781118618110.ch16openalex-snapshot
Structure–Activity Relationship Data Analysis: Activity Landscapes and Activity Cliffs
inferred← citeshttps://doi.org/10.1002/9781119282594.ch8openalex-snapshot
Computational Tools for ADMET Profiling
inferred← citeshttps://doi.org/10.1002/minf.201800021openalex-snapshot
AntiMalarial Mode of Action (AMMA) Database: Data Selection, Verification and Chemical Space Analysis
inferred← citeshttps://doi.org/10.1007/s10822-017-0019-4openalex-snapshot
QSAR modeling and chemical space analysis of antimalarial compounds
inferred← citeshttps://doi.org/10.1007/s10822-017-0070-1openalex-snapshot
From bird’s eye views to molecular communities: two-layered visualization of structure–activity relationships in large compound data sets
inferred← citeshttps://doi.org/10.1016/j.bmcl.2012.06.085openalex-snapshot
Investigation of 7-benzylidenenaltrexone derivatives as resistance reverser for chloroquine-resistant Plasmodium chabaudi
inferred← citeshttps://doi.org/10.1016/j.bmcl.2013.03.067openalex-snapshot
Recent advances in malaria drug discovery
inferred← citeshttps://doi.org/10.1016/j.ddtec.2013.01.002openalex-snapshot
Large-scale SAR analysis
inferred← citeshttps://doi.org/10.1016/j.pharmthera.2013.01.016openalex-snapshot
Structure and dynamics of molecular networks: A novel paradigm of drug discovery
inferred← citeshttps://doi.org/10.1021/ci200064copenalex-snapshot
Rationalizing the Role of SAR Tolerance for Ligand-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci300206eopenalex-snapshot
SAR Matrices: Automated Extraction of Information-Rich SAR Tables from Large Compound Data Sets
inferred← citeshttps://doi.org/10.1021/ml200135popenalex-snapshot
An Invitation to Open Innovation in Malaria Drug Discovery: 47 Quality Starting Points from the TCAMS
inferred← citeshttps://doi.org/10.1039/c1ra00924aopenalex-snapshot
Methods for SAR visualization
inferred← citeshttps://doi.org/10.1093/toxsci/kft210openalex-snapshot
Chemoinformatics Profiling of Ionic Liquids—Uncovering Structure-Cytotoxicity Relationships With Network-like Similarity Graphs
inferred← citeshttps://doi.org/10.12688/f1000research.1-11.v1openalex-snapshot
Freely available compound data sets and software tools for chemoinformatics and computational medicinal chemistry applications
inferred← citeshttps://doi.org/10.12688/f1000research.3713.1openalex-snapshot
Compound data sets and software tools for chemoinformatics and medicinal chemistry applications: update and data transfer
inferred← citeshttps://doi.org/10.1504/ijcbdd.2013.052200openalex-snapshot
Multi-view spectral clustering and its chemical application
inferred← citeshttps://doi.org/10.1517/17460441.2012.679616openalex-snapshot
Modeling of activity landscapes for drug discovery
inferred← citeshttps://doi.org/10.3390/mol2net-1-b001openalex-snapshot
Chemoinformatics Profiling of Ionic Liquids Cytotoxicity—From Machine Learning to Network-Like Similarity Graphs
inferred← citeshttps://doi.org/10.3410/f1000research.1-11.v1openalex-snapshot
Freely available compound data sets and software tools for chemoinformatics and computational medicinal chemistry applications
inferred← citeshttps://doi.org/10.70675/bc3c6c45z38f7z43b9zb1b6z82b1e1107978openalex-snapshot
Analysis of the chemical space of antimalarial compounds by generative topographie mapping
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