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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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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Statistical Methods in Analytical Chemistry
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Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening
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Computer storage and retrieval of generic chemical structures in patents. 7. Parallel simulation of a relaxation algorithm for chemical substructure search
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Recursive Median Partitioning for Virtual Screening of Large Databases
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Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
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Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms
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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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Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism
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Integration of virtual and high-throughput screening
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The 2-Chlorotrityl Resin a Worthy Addition to the Medicinal Chemists Toolbox
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Data Mining Approaches for Compound Selection and Iterative Screening
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Molecular Similarity Methods and QSAR Models As Tools for Virtual Screening
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Similarity methods in chemoinformatics
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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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FlexX‐Scan: Fast, structure‐based virtual screening
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Current Status of Virtual Combinatorial Library Design
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Application of Virtual Screening Approaches for the Identification of Small Molecule Inhibitors of the Methyllysine Reader Protein Spindlin1
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Optimization of the MAD Algorithm for Virtual Screening
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Similarity Searching Using 2D Structural Fingerprints
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Fragment Descriptors in Structure–Property Modeling and Virtual Screening
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Applying data mining techniques to library design, lead generation and lead optimization
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Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches
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The Use of Consensus Scoring in Ligand-Based Virtual Screening
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A Distance Function for Retrieval of Active Molecules from Complex Chemical Space Representations
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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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Searching for Closely Related Ligands with Different Mechanisms of Action Using Machine Learning and Mapping Algorithms
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Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces
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Analysis of a High-Throughput Screening Data Set Using Potency-Scaled Molecular Similarity Algorithms
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Design and Exploration of Target-Selective Chemical Space Representations
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POT-DMC: A Virtual Screening Method for the Identification of Potent Hits
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Determination and Mapping of Activity-Specific Descriptor Value Ranges for the Identification of Active Compounds
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Fragment Descriptors in SAR/QSAR/QSPR Studies, Molecular Similarity Analysis and in Virtual Screening
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Molecular Similarity Analysis in Virtual Screening
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Recent advances in computer-aided drug design
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Predicting odorant chemical class from odorant descriptor values with an assembly of multi-layer perceptrons
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Conotoxin therapeutics: a pipeline for success?
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Protein-Protein Interaction Inhibition (2P2I): Fewer and Fewer Undruggable Targets
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