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Shannon Entropy-Based Fingerprint Similarity Search Strategy
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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/cmdc.200600225openalex-snapshot
Comparison of 2D Fingerprint Methods for Multiple‐Template Similarity Searching on Compound Activity Classes of Increasing Structural Diversity
inferredcites →https://doi.org/10.1002/cmdc.200700050openalex-snapshot
Apparent Asymmetry in Fingerprint Similarity Searching is a Direct Consequence of Differences in Bit Densities and Molecular Size
inferredcites →https://doi.org/10.1002/j.1538-7305.1948.tb01338.xopenalex-snapshot
A Mathematical Theory of Communication
inferredcites →https://doi.org/10.1007/s008940050109openalex-snapshot
Distribution of Molecular Scaffolds and R-Groups Isolated from Large Compound Databases
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/ci000311topenalex-snapshot
Fingerprint Scaling Increases the Probability of Identifying Molecules with Similar Activity in Virtual Screening Calculations
inferredcites →https://doi.org/10.1021/ci025569topenalex-snapshot
Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins
inferredcites →https://doi.org/10.1021/ci030287uopenalex-snapshot
Profile Scaling Increases the Similarity Search Performance of Molecular Fingerprints Containing Numerical Descriptors and Structural Keys
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/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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/ci700314xopenalex-snapshot
Balancing the Influence of Molecular Complexity on Fingerprint Similarity Searching
inferredcites →https://doi.org/10.1021/ci950169+openalex-snapshot
Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets
inferredcites →https://doi.org/10.2174/1381612053507549openalex-snapshot
New Methodologies for Ligand-Based Virtual Screening
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1007/978-3-642-17946-4_11openalex-snapshot
Evolvable Designs of Experiments
inferred← citeshttps://doi.org/10.1007/s10910-011-9889-1openalex-snapshot
A new manner to use application of Shannon Entropy in similarity computation
inferred← citeshttps://doi.org/10.1016/j.cbpa.2010.03.017openalex-snapshot
Cheminformatics approaches to analyze diversity in compound screening libraries
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c01499openalex-snapshot
Selector : A General Python Library for Diverse Subset Selection
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00492openalex-snapshot
Advantages of Relative versus Absolute Data for the Development of Quantitative Structure–Activity Relationship Classification Models
inferred← citeshttps://doi.org/10.1021/ci500575yopenalex-snapshot
Chemical Data Visualization and Analysis with Incremental Generative Topographic Mapping: Big Data Challenge
inferred← citeshttps://doi.org/10.1021/ci900313uopenalex-snapshot
Chemical Domain of QSAR Models from Atom-Centered Fragments
inferred← citeshttps://doi.org/10.1073/pnas.1015024108openalex-snapshot
Quantifying structure and performance diversity for sets of small molecules comprising small-molecule screening collections
inferred← citeshttps://doi.org/10.1080/1062936x.2018.1442879openalex-snapshot
QSAR classification and regression models for β-secretase inhibitors using relative distance matrices
inferred← citeshttps://doi.org/10.1080/1062936x.2018.1494038openalex-snapshot
Robust QSAR prediction models for volume of distribution at steady state in humans using relative distance measurements
inferred← citeshttps://doi.org/10.1186/s13321-017-0195-1openalex-snapshot
Database fingerprint (DFP): an approach to represent molecular databases
inferred← citeshttps://doi.org/10.1186/s13321-020-00483-yopenalex-snapshot
Profiling and analysis of chemical compounds using pointwise mutual information
inferred← citeshttps://doi.org/10.1186/s13321-026-01170-0openalex-snapshot
Collision-free morgan fingerprints: a principled approach to enhance machine learning performance and interpretability in chemistry
inferred← citeshttps://doi.org/10.1371/journal.pone.0128195openalex-snapshot
Genetic Structure and Relationship Analysis of an Association Population in Jute (Corchorus spp.) Evaluated by SSR Markers
inferred← citeshttps://doi.org/10.3390/info1020060openalex-snapshot
Application of Information—Theoretic Concepts in Chemoinformatics
inferred← citeshttps://doi.org/10.6084/m9.figshare.13551811openalex-snapshot
Additional file 2 of Profiling and analysis of chemical compounds using pointwise mutual information
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