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Mapping Algorithms for Molecular Similarity Analysis and Ligand-Based Virtual Screening: Design of DynaMAD and Comparison with MAD and DMC
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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/qsar.200310001openalex-snapshot
An Information‐Theoretic Approach to Descriptor Selection for Database Profiling and QSAR Modeling
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Methods and Principles in Medicinal Chemistry
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Chemical substructures in drug discovery
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Nonleadlikeness and leadlikeness in biochemical screening
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Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening
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Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination
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Recursive Median Partitioning for Virtual Screening of Large Databases
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A Novel Shape-Feature Based Approach to Virtual Library Screening
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Similarity Searching Using Reduced Graphs
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Molecular Similarity Analysis and Virtual Screening by Mapping of Consensus Positions in Binary-Transformed Chemical Descriptor Spaces with Variable Dimensionality
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Chemical Fragment Generation and Clustering Software
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Metric Validation and the Receptor-Relevant Subspace Concept
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Construction of a Virtual High Throughput Screen by 4D-QSAR Analysis: Application to a Combinatorial Library of Glucose Inhibitors of Glycogen Phosphorylase b
inferredcites →https://doi.org/10.1021/ci990162iopenalex-snapshot
The Characterization of Chemical Structures Using Molecular Properties. A Survey
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Analysis of a Large Structure/Biological Activity Data Set Using Recursive Partitioning
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Data Analysis of High-Throughput Screening Results: Application of Multidomain Clustering to the NCI Anti-HIV Data Set
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“Lead Hopping”. Validation of Topomer Similarity as a Superior Predictor of Similar Biological Activities
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POT-DMC: A Virtual Screening Method for the Identification of Potent Hits
inferredcites →https://doi.org/10.1021/jm051110popenalex-snapshot
Determination and Mapping of Activity-Specific Descriptor Value Ranges for the Identification of Active Compounds
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Virtual screening of chemical libraries
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Docking and scoring in virtual screening for drug discovery: methods and applications
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Combinatorial informatics in the post-genomics era
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The 2-Chlorotrityl Resin a Worthy Addition to the Medicinal Chemists Toolbox
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New Methodologies for Ligand-Based Virtual Screening
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A Neural Network Based Virtual High Throughput Screening Test for the Prediction of CNS Activity
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Applied Virtual Screening: Strategies, Recommendations, and Caveats
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Multivariate Analysis of Molecular Descriptors
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Comparison of 2D Fingerprint Methods for Multiple‐Template Similarity Searching on Compound Activity Classes of Increasing Structural Diversity
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Hit Expansion through Computational Selectivity Searching
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Inhibitors of Cathepsins K and S Identified Using the DynaMAD Virtual Screening Algorithm
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Towards Unified Compound Screening Strategies: A Critical Evaluation of Error Sources in Experimental and Virtual High‐Throughput Screening
inferred← citeshttps://doi.org/10.1007/s11030-008-9071-2openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-0-443-18638-7.00022-0openalex-snapshot
Chemical space and molecular descriptors for QSAR studies
inferred← citeshttps://doi.org/10.1016/j.ddtec.2006.12.008openalex-snapshot
In silico target fishing: Predicting biological targets from chemical structure
inferred← citeshttps://doi.org/10.1016/j.drudis.2007.01.011openalex-snapshot
Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches
inferred← citeshttps://doi.org/10.1021/ci400359nopenalex-snapshot
Searching for Closely Related Ligands with Different Mechanisms of Action Using Machine Learning and Mapping Algorithms
inferred← citeshttps://doi.org/10.1021/ci800106eopenalex-snapshot
Design and Exploration of Target-Selective Chemical Space Representations
inferred← citeshttps://doi.org/10.1039/9781847558879-00120openalex-snapshot
Molecular Similarity Analysis in Virtual Screening
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Recent advances in computer-aided drug design
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Comparative Analysis of Rac1 Binding Efficiency With Different Classes of Ligands: Morpholines, Flavonoids and Imidazoles
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A computer-based approach for developing linamarase inhibitory agents
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Virtual Screening Strategies in Drug Discovery: A Critical Review
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Virtual Screening Techniques in Drug Discovery: Review and Recent Applications
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Structure –Activity Relationships by Autocorrelation Descriptors and Genetic Algorithms
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