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Ligand-Based Virtual Screening by Novelty Detection with Self-Organizing Maps

https://doi.org/10.1021/ci700040r
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What this work says

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

inferredcites →https://doi.org/10.1002/3527603743.ch9openalex-snapshot
WOMBAT: World of Molecular Bioactivity
inferredcites →https://doi.org/10.1002/cmdc.200600147openalex-snapshot
Predicting Compound Selectivity by Self‐Organizing Maps: Cross‐Activities of Metabotropic Glutamate Receptor Antagonists
inferredcites →https://doi.org/10.1002/qsar.200330831openalex-snapshot
Approaches to Measure Chemical Similarity – a Review
inferredcites →https://doi.org/10.1002/qsar.200430877openalex-snapshot
Comparison of Different Classification Methods Applied to a Mode of Toxic Action Data Set
inferredcites →https://doi.org/10.1006/mssp.1996.0036openalex-snapshot
SELF-ORGANISING NEURAL NETWORKS FOR AUTOMATED MACHINERY MONITORING SYSTEMS
inferredcites →https://doi.org/10.1016/0040-4020(80)80168-2openalex-snapshot
Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges
inferredcites →https://doi.org/10.1016/j.sigpro.2003.07.018openalex-snapshot
Novelty detection: a review—part 1: statistical approaches
inferredcites →https://doi.org/10.1016/j.sigpro.2003.07.019openalex-snapshot
Novelty detection: a review—part 2:
inferredcites →https://doi.org/10.1016/j.ymssp.2005.01.008openalex-snapshot
Modified self-organising map for automated novelty detection applied to vibration signal monitoring
inferredcites →https://doi.org/10.1016/s0040-4039(00)81975-9openalex-snapshot
New empirical models of substituent polarisability and their application to stabilisation effects in positively charged species
inferredcites →https://doi.org/10.1016/s0040-4039(00)81976-0openalex-snapshot
Residual electronegativity - an empirical quantification of polar influences and its application to the proton affinity of amines
inferredcites →https://doi.org/10.1016/s0169-7439(99)00047-7openalex-snapshot
The Mahalanobis distance
inferredcites →https://doi.org/10.1016/s1088-467x(99)00013-xopenalex-snapshot
SOM-based data visualization methods
inferredcites →https://doi.org/10.1016/s1093-3263(00)00061-9openalex-snapshot
Effectiveness of retrieval in similarity searches of chemical databases: a review of performance measures
inferredcites →https://doi.org/10.1016/s1359-6446(02)02483-2openalex-snapshot
Structure-based virtual screening: an overview
inferredcites →https://doi.org/10.1021/ci00023a009openalex-snapshot
Simulation Analysis of Experimental Design Strategies for Screening Random Compounds as Potential New Drugs and Agrochemicals
inferredcites →https://doi.org/10.1021/ci025591mopenalex-snapshot
Evaluation of Similarity Measures for Searching the Dictionary of Natural Products Database
inferredcites →https://doi.org/10.1021/ci025592eopenalex-snapshot
Similarity Searching Using Reduced Graphs
inferredcites →https://doi.org/10.1021/ci034223vopenalex-snapshot
Mining High-Throughput Screening Data of Combinatorial Libraries: Development of a Filter to Distinguish Hits from Nonhits
inferredcites →https://doi.org/10.1021/ci034231bopenalex-snapshot
Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures
inferredcites →https://doi.org/10.1021/ci049867xopenalex-snapshot
Enhancing the Effectiveness of Virtual Screening by Fusing Nearest Neighbor Lists: A Comparison of Similarity Coefficients
inferredcites →https://doi.org/10.1021/ci0600657openalex-snapshot
Applications of Self-Organizing Neural Networks in Virtual Screening and Diversity Selection
inferredcites →https://doi.org/10.1021/ci600197yopenalex-snapshot
“Bayes Affinity Fingerprints” Improve Retrieval Rates in Virtual Screening and Define Orthogonal Bioactivity Space: When Are Multitarget Drugs a Feasible Concept?
inferredcites →https://doi.org/10.1021/ci950274jopenalex-snapshot
Chemical Similarity Using Physiochemical Property Descriptors
inferredcites →https://doi.org/10.1021/ci950275bopenalex-snapshot
Chemical Similarity Using Geometric Atom Pair Descriptors
inferredcites →https://doi.org/10.1021/ci960346mopenalex-snapshot
Locating Biologically Active Compounds in Medium-Sized Heterogeneous Datasets by Topological Autocorrelation Vectors: Dopamine and Benzodiazepine Agonists
inferredcites →https://doi.org/10.1021/ci9800211openalex-snapshot
Chemical Similarity Searching
inferredcites →https://doi.org/10.1021/ci9803381openalex-snapshot
Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets
inferredcites →https://doi.org/10.1021/jm020155copenalex-snapshot
Do Structurally Similar Molecules Have Similar Biological Activity?
inferredcites →https://doi.org/10.1021/jm050090oopenalex-snapshot
Virtual Screening of Biogenic Amine-Binding G-Protein Coupled Receptors: Comparative Evaluation of Protein- and Ligand-Based Virtual Screening Protocols
inferredcites →https://doi.org/10.1021/jm050316nopenalex-snapshot
Enhancing the Effectiveness of Similarity-Based Virtual Screening Using Nearest-Neighbor Information
inferredcites →https://doi.org/10.1021/jm960290nopenalex-snapshot
Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” Descriptors
inferredcites →https://doi.org/10.1021/jm960352+openalex-snapshot
Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors
inferredcites →https://doi.org/10.1023/a:1020155510718openalex-snapshot
A review of protein-small molecule docking methods
inferredcites →https://doi.org/10.1023/a:1023247831238openalex-snapshot
An Analysis of the Autocorrelation Descriptor for Molecules
inferredcites →https://doi.org/10.1023/b:jcam.0000017375.61558.adopenalex-snapshot
Comparison of correlation vector methods for ligand-based similarity searching
inferredcites →https://doi.org/10.18637/jss.v011.c01openalex-snapshot
Venn Diagrams inR
inferredcites →https://doi.org/10.2174/1570163043334965openalex-snapshot
Strategies for Compound Selection

What points at this work

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

inferred← citeshttps://doi.org/10.1002/chin.200807196openalex-snapshot
ChemInform Abstract: Ligand‐Based Virtual Screening by Novelty Detection with Self‐Organizing Maps.
inferred← citeshttps://doi.org/10.1002/minf.201000063openalex-snapshot
The One‐Class Classification Approach to Data Description and to Models Applicability Domain
inferred← citeshttps://doi.org/10.1002/minf.201000100openalex-snapshot
Chemoinformatics as a Theoretical Chemistry Discipline
inferred← citeshttps://doi.org/10.1002/minf.201100082openalex-snapshot
Self‐Organizing Maps for In Silico Screening and Data Visualization
inferred← citeshttps://doi.org/10.1002/minf.201100098openalex-snapshot
Navigating Drug‐Like Chemical Space of Anticancer Molecules Using Genetic Algorithms and Counterpropagation Artificial Neural Networks
inferred← citeshttps://doi.org/10.1007/978-3-030-18375-2_11openalex-snapshot
Molecular Modeling and Drug Design Techniques in Microbial Drug Discovery
inferred← citeshttps://doi.org/10.1007/978-3-030-33582-3_25openalex-snapshot
Methods to Improve Ranking Chemical Structures in Ligand-Based Virtual Screening
inferred← citeshttps://doi.org/10.1007/s10822-007-9145-8openalex-snapshot
Virtual screening applications: a study of ligand-based methods and different structure representations in four different scenarios
inferred← citeshttps://doi.org/10.1007/s10822-019-00188-xopenalex-snapshot
Multi-task generative topographic mapping in virtual screening
inferred← citeshttps://doi.org/10.1007/s10930-021-10030-9openalex-snapshot
Ligand Based Virtual Screening Using Self-organizing Maps
inferred← citeshttps://doi.org/10.1016/b978-0-443-33885-4.00003-2openalex-snapshot
Sculpting the future: harnessing artificial intelligence for revolutionary drug discovery
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.04.024openalex-snapshot
Using self-organizing maps to accelerate similarity search
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2017.07.005openalex-snapshot
Virtual screening and repositioning of inconclusive molecules of beta-lactamase Bioassays—A data mining approach
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2019.107143openalex-snapshot
Ligand based virtual screening using SVM on GPU
inferred← citeshttps://doi.org/10.1016/j.drudis.2014.10.012openalex-snapshot
Machine-learning approaches in drug discovery: methods and applications
inferred← citeshttps://doi.org/10.1016/j.eng.2023.01.014openalex-snapshot
Artificial Intelligence in Pharmaceutical Sciences
inferred← citeshttps://doi.org/10.1016/j.patcog.2012.06.017openalex-snapshot
L1 norm based KPCA for novelty detection
inferred← citeshttps://doi.org/10.1016/j.sigpro.2013.12.026openalex-snapshot
A review of novelty detection
inferred← citeshttps://doi.org/10.1016/s1574-1400(08)00011-xopenalex-snapshot
SAR Knowledge Bases in Drug Discovery
inferred← citeshttps://doi.org/10.1021/ci200409xopenalex-snapshot
Machine Learning Methods for Property Prediction in Chemoinformatics:Quo Vadis?
inferred← citeshttps://doi.org/10.1021/ci900228xopenalex-snapshot
Suitability of GRIND-Based Principal Properties for the Description of Molecular Similarity and Ligand-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/cn9000389openalex-snapshot
Identification of Metabotropic Glutamate Receptor Subtype 5 Potentiators Using Virtual High-Throughput Screening
inferred← citeshttps://doi.org/10.1038/s41598-017-06692-0openalex-snapshot
ADME-Space: a new tool for medicinal chemists to explore ADME properties
inferred← citeshttps://doi.org/10.1039/9781837070206-00214openalex-snapshot
Machine Learning in Virtual Screening of Databases
inferred← citeshttps://doi.org/10.1155/2014/421693openalex-snapshot
DockScreen: A Database of In Silico Biomolecular Interactions to Support Computational Toxicology
inferred← citeshttps://doi.org/10.2174/138620710790218212openalex-snapshot
Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors
inferred← citeshttps://doi.org/10.3390/ddc2020017openalex-snapshot
Virtual Screening Algorithms in Drug Discovery: A Review Focused on Machine and Deep Learning Methods
inferred← citeshttps://doi.org/10.4155/9781909453012openalex-snapshot
In Silico Drug Discovery and Design
inferred← citeshttps://doi.org/10.4155/ebo.12.419openalex-snapshot
Machine learning and similarity-based virtual screening techniques
inferred← citeshttps://doi.org/10.5935/1984-6835.20120055openalex-snapshot
Virtual Screening Strategies in Drug Design
inferred← citeshttps://doi.org/10.70675/f0cedbe1z6c18z48e4z901cza22a3ae4e98aopenalex-snapshot
Les triplets pharmacophoriques flous : développement et applications
inferred← citeshttps://doi.org/10.70675/ff1b1b1bz4ecfz4beaz84cdzd1749249403dopenalex-snapshot
Generative topographic mapping : a powerful tool for big chemical data visualization, analysis and modeling
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