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A Machine Learning Approach to Weighting Schemes in the Data Fusion of Similarity Coefficients
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1007/s11030-006-8697-1openalex-snapshot
Molecular similarity and diversity in chemoinformatics: From theory to applications
inferredcites →https://doi.org/10.1016/j.drudis.2006.10.005openalex-snapshot
Similarity-based virtual screening using 2D fingerprints
inferredcites →https://doi.org/10.1021/bk-2005-0894.ch006openalex-snapshot
On the Magnitudes of Coefficient Values in the Calculation of Chemical Similarity and Dissimilarity
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/ci025596jopenalex-snapshot
Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion
inferredcites →https://doi.org/10.1021/ci034001xopenalex-snapshot
Analysis and Display of the Size Dependence of Chemical Similarity Coefficients
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/ci050348jopenalex-snapshot
New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching
inferredcites →https://doi.org/10.1021/ci970437zopenalex-snapshot
On the Properties of Bit String-Based Measures of Chemical Similarity
inferredcites →https://doi.org/10.1021/ci990316uopenalex-snapshot
Combinatorial Preferences Affect Molecular Similarity/Diversity Calculations Using Binary Fingerprints and Tanimoto Coefficients
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/jm980708copenalex-snapshot
The Hidden Component of Size in Two-Dimensional Fragment Descriptors: Side Effects on Sampling in Bioactive Libraries
inferredcites →https://doi.org/10.1023/a:1008752200506openalex-snapshot
Combination of molecular similarity measures using data fusion
inferredcites →https://doi.org/10.1198/004017002317375064openalex-snapshot
A Modification of the Jaccard–Tanimoto Similarity Index for Diverse Selection of Chemical Compounds Using Binary Strings
inferredcites →https://doi.org/10.1201/9781420028775openalex-snapshot
Virtual Screening in Drug Discovery
inferredcites →https://doi.org/10.2174/1386207024607338openalex-snapshot
Grouping of Coefficients for the Calculation of Inter-Molecular Similarity and Dissimilarity using 2D Fragment Bit-Strings
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9781118742785.ch15openalex-snapshot
MOLECULAR SIMILARITY ANALYSIS
inferred← citeshttps://doi.org/10.1002/9783527633326.ch13openalex-snapshot
Scenarios and Case Studies: Examples for Ligand‐Based Virtual Screening
inferred← citeshttps://doi.org/10.1002/9783527645121.ch7openalex-snapshot
Structural‐Similarity‐Based Approaches for the Development of Clustering and QSPR/QSAR Models in Chemical Databases
inferred← citeshttps://doi.org/10.1016/j.fuel.2021.122274openalex-snapshot
Multi-output chemometrics model for gasoline compounding
inferred← citeshttps://doi.org/10.1021/ci8004644openalex-snapshot
Comparison of Nonbinary Similarity Coefficients for Similarity Searching, Clustering and Compound Selection
inferred← citeshttps://doi.org/10.1021/ci900108dopenalex-snapshot
Development of a Compound Class-Directed Similarity Coefficient That Accounts for Molecular Complexity Effects in Fingerprint Searching
inferred← citeshttps://doi.org/10.1021/ci900301vopenalex-snapshot
Assessing Synthetic Accessibility of Chemical Compounds Using Machine Learning Methods
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2010.01007.xopenalex-snapshot
Computational Methodologies for Compound Database Searching that Utilize Experimental Protein–Ligand Interaction Information
inferred← citeshttps://doi.org/10.1186/1758-2946-1-12openalex-snapshot
Small Molecule Subgraph Detector (SMSD) toolkit
inferred← citeshttps://doi.org/10.1186/s13321-015-0103-5openalex-snapshot
Target enhanced 2D similarity search by using explicit biological activity annotations and profiles
inferred← citeshttps://doi.org/10.3390/molecules21040476openalex-snapshot
Adapting Document Similarity Measures for Ligand-Based Virtual Screening
inferred← citeshttps://doi.org/10.4155/fmc.10.244openalex-snapshot
Modeling Approaches for Ligand-Based 3D Similarity
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