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Recursive Median Partitioning for Virtual Screening of Large Databases
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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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A widely applicable set of descriptors
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Comparison of algorithms for dissimilarity-based compound selection
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Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination
inferredcites →https://doi.org/10.1021/ci0101049openalex-snapshot
On Combining Recursive Partitioning and Simulated Annealing To Detect Groups of Biologically Active Compounds
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Metric Validation and the Receptor-Relevant Subspace Concept
inferredcites →https://doi.org/10.1021/ci9903049openalex-snapshot
Analysis of a Large Structure/Biological Activity Data Set Using Recursive Partitioning
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Molecular Docking and High-Throughput Screening for Novel Inhibitors of Protein Tyrosine Phosphatase-1B
inferredcites →https://doi.org/10.1089/106652799318382openalex-snapshot
Dissimilarity-Based Algorithms for Selecting Structurally Diverse Sets of Compounds
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Molecular Similarity Methods and QSAR Models As Tools for Virtual Screening
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Status of HTS Data Mining Approaches
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Data and Graph Mining in Chemical Space for ADME and Activity Data Sets
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The Effect of Variable Selection on the Non‐linear Modelling of Oestrogen Receptor Binding
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_17openalex-snapshot
The Interweaving of Cheminformatics and HTS
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Descriptor vector redesign by neuro-fuzzy analysis
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Estimation of drug solubility in water, PEG 400 and their binary mixtures using the molecular structures of solutes
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A neuro-fuzzy approach to virtual screening in molecular bioinformatics
inferred← citeshttps://doi.org/10.1016/s1367-5931(03)00057-7openalex-snapshot
Computational design strategies for combinatorial libraries
inferred← citeshttps://doi.org/10.1021/ci030285+openalex-snapshot
Design and Evaluation of a Molecular Fingerprint Involving the Transformation of Property Descriptor Values into a Binary Classification Scheme
inferred← citeshttps://doi.org/10.1021/ci0302963openalex-snapshot
Molecular Similarity Analysis and Virtual Screening by Mapping of Consensus Positions in Binary-Transformed Chemical Descriptor Spaces with Variable Dimensionality
inferred← citeshttps://doi.org/10.1021/ci0303013openalex-snapshot
GPCR-Tailored Pharmacophore Pattern Recognition of Small Molecular Ligands
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Spline-Fitting with a Genetic Algorithm: A Method for Developing Classification Structure−Activity Relationships
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Feature Selection for Descriptor Based Classification Models. 1. Theory and GA-SEC Algorithm
inferred← citeshttps://doi.org/10.1021/ci0400819openalex-snapshot
Similarity Search Profiling Reveals Effects of Fingerprint Scaling in Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci040120gopenalex-snapshot
Similarity Search Profiles as a Diagnostic Tool for the Analysis of Virtual Screening Calculations
inferred← citeshttps://doi.org/10.1021/ci050471aopenalex-snapshot
Data Visualization during the Early Stages of Drug Discovery
inferred← citeshttps://doi.org/10.1021/ci050510iopenalex-snapshot
A Distance Function for Retrieval of Active Molecules from Complex Chemical Space Representations
inferred← citeshttps://doi.org/10.1021/ci050521bopenalex-snapshot
A Family of Ring System-Based Structural Fragments for Use in Structure−Activity Studies: Database Mining and Recursive Partitioning
inferred← citeshttps://doi.org/10.1021/ci060083oopenalex-snapshot
Mapping Algorithms for Molecular Similarity Analysis and Ligand-Based Virtual Screening: Design of DynaMAD and Comparison with MAD and DMC
inferred← citeshttps://doi.org/10.1021/ci600280bopenalex-snapshot
Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces
inferred← citeshttps://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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Recursive Partitioning for the Prediction of Cytochromes P450 2D6 and 1A2 Inhibition: Importance of the Quality of the Dataset
inferred← citeshttps://doi.org/10.1039/9781847558879-00182openalex-snapshot
Probabilistic Approaches in Activity Prediction
inferred← citeshttps://doi.org/10.1142/s0219720008003345openalex-snapshot
FEATURE SELECTION IN VALIDATING MASS SPECTROMETRY DATABASE SEARCH RESULTS
inferred← citeshttps://doi.org/10.1385/1-59259-802-1:291openalex-snapshot
Partitioning in Binary-Transformed Chemical Descriptor Spaces
inferred← citeshttps://doi.org/10.4018/978-1-61520-911-8.ch002openalex-snapshot
Optimal Assignment Kernels for ADME in Silico Prediction
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