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Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Predicting protein–ligand affinity with a random matrix framework
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BOPIM: Bayesian Optimization for Influence Maximization on Temporal Networks
inferred← citeshttps://doi.org/10.1080/07391102.2019.1633410openalex-snapshot
Identification of the potential biological target of N-benzenesulfonyl-1,2,3,4-tetrahydroquinoline compounds active against gram-positive and gram-negative bacteria
inferred← citeshttps://doi.org/10.1080/1062936x.2017.1398184openalex-snapshot
Grouping of CoMPARA data with respect to compounds from the carcinogenic potency database
inferred← citeshttps://doi.org/10.1080/13683500.2024.2392751openalex-snapshot
Is AI really better than conventional methods to identify the key drivers of firms’ performance? An exploratory study in the hospitality industry
inferred← citeshttps://doi.org/10.1080/17460441.2022.2128332openalex-snapshot
How do we further enhance 2D fingerprint similarity searching for novel drug discovery?
inferred← citeshttps://doi.org/10.1080/17460441.2024.2313475openalex-snapshot
Chemoinformatic approaches for navigating large chemical spaces
inferred← citeshttps://doi.org/10.1093/bib/bbab291openalex-snapshot
Comparative analysis of molecular fingerprints in prediction of drug combination effects
inferred← citeshttps://doi.org/10.1093/bib/bby069openalex-snapshot
Review and comparative assessment of similarity-based methods for prediction of drug–protein interactions in the druggable human proteome
inferred← citeshttps://doi.org/10.1093/bioinformatics/btv416openalex-snapshot
RxnSim: a tool to compare biochemical reactions
inferred← citeshttps://doi.org/10.1093/jat/bkab098openalex-snapshot
Revealing Unknown Controlled Substances and New Psychoactive Substances Using High-Resolution LC–MS-MS Machine Learning Models and the Hybrid Similarity Search Algorithm
inferred← citeshttps://doi.org/10.1096/fj.202505042rropenalex-snapshot
Rational Inhibitor Discovery for BRAF V600E Using PSeMut , a Sequence‐Driven Model
inferred← citeshttps://doi.org/10.1101/2021.04.16.439299openalex-snapshot
Comparative analysis of molecular representations in prediction of drug combination effects
inferred← citeshttps://doi.org/10.1101/2024.08.10.607459openalex-snapshot
Efficient clustering of large molecular libraries
inferred← citeshttps://doi.org/10.1101/2025.06.16.659994openalex-snapshot
Count your bits: fingerprint benchmarking to assess broad chemical space representation
inferred← citeshttps://doi.org/10.1109/access.2024.3483966openalex-snapshot
Beyond Positive Similarity Metrics: Leveraging Negative Co-Occurrence in Recommender Systems
inferred← citeshttps://doi.org/10.1109/aims.2013.28openalex-snapshot
Comparison of Similarity Coefficients for Chemical Database Retrieval
inferred← citeshttps://doi.org/10.1109/bibm62325.2024.10822383openalex-snapshot
FEATURE-pHLA: Physico-chemical features efficiently predict peptide-HLA binding affinity
inferred← citeshttps://doi.org/10.1109/cibcb58642.2024.10702115openalex-snapshot
Predicting Metabolic Reactions with a Molecular Transformer for Drug Design Optimization
inferred← citeshttps://doi.org/10.1109/cibcb66090.2025.11177140openalex-snapshot
Improving the Efficiency and the Validity of Molecular Transformers
inferred← citeshttps://doi.org/10.1109/ic-cgu58078.2024.10530783openalex-snapshot
Inferring Compound Similarity: A Clustering Approach in Drug Discovery
inferred← citeshttps://doi.org/10.1109/icacsis.2016.7872773openalex-snapshot
Learning similarity functions for binary strings via genetic programming
inferred← citeshttps://doi.org/10.1109/icpr48806.2021.9412260openalex-snapshot
Sparse-Dense Subspace Clustering
inferred← citeshttps://doi.org/10.1109/tcbb.2021.3074401openalex-snapshot
KenDTI: An Ensemble Model for Predicting Drug-Target Interaction by Integrating Multi-Source Information
inferred← citeshttps://doi.org/10.1109/tfuzz.2020.2984188openalex-snapshot
A Consensus Model to Manage Minority Opinions and Noncooperative Behaviors in Large Group Decision Making With Probabilistic Linguistic Term Sets
inferred← citeshttps://doi.org/10.1128/spectrum.03871-22openalex-snapshot
PPNet: Identifying Functional Association Networks by Phylogenetic Profiling of Prokaryotic Genomes
inferred← citeshttps://doi.org/10.1145/3278681.3278690openalex-snapshot
Measuring verb similarity using binary coefficients with application to isiXhosa and isiZulu
inferred← citeshttps://doi.org/10.11591/ijece.v13i1.pp884-893openalex-snapshot
A doctor recommender system based on collaborative and content filtering
inferred← citeshttps://doi.org/10.11591/ijeecs.v21.i1.pp377-390openalex-snapshot
BotDetectorFW: an optimized botnet detection framework based on five features-distance measures supported by comparisons of four machine learning classifiers using CICIDS2017 dataset
inferred← citeshttps://doi.org/10.11606/d.9.2023.tde-10112023-174930openalex-snapshot
Uma análise quimioinformática sobre canabinoides sintéticos em receptores canabinóides (CB1 e CB2)
inferred← citeshttps://doi.org/10.1186/1758-2946-5-26openalex-snapshot
Open-source platform to benchmark fingerprints for ligand-based virtual screening
inferred← citeshttps://doi.org/10.1186/1758-2946-6-5openalex-snapshot
The use of 2D fingerprint methods to support the assessment of structural similarity in orphan drug legislation
inferred← citeshttps://doi.org/10.1186/s12859-016-1392-zopenalex-snapshot
Finding an appropriate equation to measure similarity between binary vectors: case studies on Indonesian and Japanese herbal medicines
inferred← citeshttps://doi.org/10.1186/s12859-018-2248-5openalex-snapshot
SimCAL: a flexible tool to compute biochemical reaction similarity
inferred← citeshttps://doi.org/10.1186/s12859-019-3118-5openalex-snapshot
Jaccard/Tanimoto similarity test and estimation methods for biological presence-absence data
inferred← citeshttps://doi.org/10.1186/s12859-024-05643-7openalex-snapshot
Learning self-supervised molecular representations for drug–drug interaction prediction
inferred← citeshttps://doi.org/10.1186/s12911-023-02133-3openalex-snapshot
Analysis and identification of drug similarity through drug side effects and indications data
inferred← citeshttps://doi.org/10.1186/s13321-014-0039-1openalex-snapshot
A generalizable definition of chemical similarity for read-across
inferred← citeshttps://doi.org/10.1186/s13321-015-0056-8openalex-snapshot
Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits
inferred← citeshttps://doi.org/10.1186/s13321-015-0069-3openalex-snapshot
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
inferred← citeshttps://doi.org/10.1186/s13321-015-0108-0openalex-snapshot
A reliable computational workflow for the selection of optimal screening libraries
inferred← citeshttps://doi.org/10.1186/s13321-017-0198-yopenalex-snapshot
Analysis of drug–endogenous human metabolite similarities in terms of their maximum common substructures
inferred← citeshttps://doi.org/10.1186/s13321-017-0234-yopenalex-snapshot
Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm
inferred← citeshttps://doi.org/10.1186/s13321-018-0302-yopenalex-snapshot
Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints
inferred← citeshttps://doi.org/10.1186/s13321-018-0310-yopenalex-snapshot
Implicit-descriptor ligand-based virtual screening by means of collaborative filtering
inferred← citeshttps://doi.org/10.1186/s13321-020-00443-6openalex-snapshot
QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping
inferred← citeshttps://doi.org/10.1186/s13321-021-00504-4openalex-snapshot
Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 2: speed, consistency, diversity selection
inferred← citeshttps://doi.org/10.1186/s13321-021-00505-3openalex-snapshot
Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 1: Theory and characteristics†
inferred← citeshttps://doi.org/10.1186/s13321-021-00526-yopenalex-snapshot
“Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool
inferred← citeshttps://doi.org/10.1186/s13321-026-01245-yopenalex-snapshot
Count your bits: fingerprint benchmarking to assess broad chemical space representation
inferred← citeshttps://doi.org/10.1186/s40537-025-01091-zopenalex-snapshot
The Standard Deviation Score: a novel similarity metric for data analysis
inferred← citeshttps://doi.org/10.1289/ehp14001openalex-snapshot
Unlocking the Potential of Clustering and Classification Approaches: Navigating Supervised and Unsupervised Chemical Similarity
inferred← citeshttps://doi.org/10.12928/telkomnika.v16i4.5916openalex-snapshot
Algorithm for Predicting Compound Protein Interaction Using Tanimoto Similarity and Klekota-roth Fingerprint
inferred← citeshttps://doi.org/10.1371/journal.pone.0102069openalex-snapshot
Asymmetric Clustering Index in a Case Study of 5-HT1A Receptor Ligands
inferred← citeshttps://doi.org/10.1371/journal.pone.0247751openalex-snapshot
A comparison of 71 binary similarity coefficients: The effect of base rates
inferred← citeshttps://doi.org/10.1371/journal.pone.0306579openalex-snapshot
A computational and machine learning approach to identify GPR40-targeting agonists for neurodegenerative disease treatment
inferred← citeshttps://doi.org/10.1371/journal.pone.0315394openalex-snapshot
Distinguishing classes of neuroactive drugs based on computational physicochemical properties and experimental phenotypic profiling in planarians
inferred← citeshttps://doi.org/10.1371/journal.pone.0316617openalex-snapshot
Optimization of HIV drugs through MCDM technique Analytic Hierarchy Process(AHP)
inferred← citeshttps://doi.org/10.18489/sacj.v31i2.698openalex-snapshot
A method for measuring verb similarity for two closely related languages with application to Zulu and Xhosa
inferred← citeshttps://doi.org/10.1890/14-0471.1openalex-snapshot
A new twist on a very old binary similarity coefficient
inferred← citeshttps://doi.org/10.21203/rs.3.rs-10363603/v1openalex-snapshot
Chemically Informed and Leakage-Aware QSPR Modeling: The 4L-QSPR Framework Applied to Aqueous Solubility Prediction
inferred← citeshttps://doi.org/10.21307/stattrans-2019-013openalex-snapshot
THE EFFECT OF BINARY DATA TRANSFORMATION IN CATEGORICAL DATA CLUSTERING
inferred← citeshttps://doi.org/10.2174/1574893614666191119123935openalex-snapshot
Genetic Algorithm-based Feature Selection Approach for Enhancing the Effectiveness of Similarity Searching in Ligand-based Virtual Screening
inferred← citeshttps://doi.org/10.2174/1874844901603010099openalex-snapshot
The Effect of Adding Indirect Relationship to Turbo Similarity Searching
inferred← citeshttps://doi.org/10.2298/gensr1601219dopenalex-snapshot
Comparison of similarity coefficients used for cluster analysis based on SSR markers in sister line wheat cultivars
inferred← citeshttps://doi.org/10.26434/chemrxiv-2024-0b8sfopenalex-snapshot
Alternative weighting schemes for fine-tuned extended similarity index calculations
inferred← citeshttps://doi.org/10.26434/chemrxiv-2024-fqdtnopenalex-snapshot
PythiaCHEM : a user-friendly machine learning toolkit for chemistry
inferred← citeshttps://doi.org/10.29244/ijsa.v3i3.327openalex-snapshot
PENINGKATAN AKURASI KLASIFIKASI INTERAKSI FARMAKODINAMIK OBAT BERBASIS SELEKSI PASANGAN OBAT TAKBERINTERAKSI
inferred← citeshttps://doi.org/10.32388/cz9xhxopenalex-snapshot
Review of: "Information Is Immanent Incongruence"
inferred← citeshttps://doi.org/10.32388/xb1n2aopenalex-snapshot
Review of: "A New Index for Measuring the Difference Between Two Probability Distributions"
inferred← citeshttps://doi.org/10.3389/fchem.2024.1407911openalex-snapshot
Topological indices based VIKOR assisted multi-criteria decision technique for lung disorders
inferred← citeshttps://doi.org/10.3389/fenvs.2016.00011openalex-snapshot
Predictive Toxicology: Modeling Chemical Induced Toxicological Response Combining Circular Fingerprints with Random Forest and Support Vector Machine
inferred← citeshttps://doi.org/10.3389/fpsyg.2020.567817openalex-snapshot
Perspectives on the 2 × 2 Matrix: Solving Semantically Distinct Problems Based on a Shared Structure of Binary Contingencies
inferred← citeshttps://doi.org/10.3390/biom11121793openalex-snapshot
MassGenie: A Transformer-Based Deep Learning Method for Identifying Small Molecules from Their Mass Spectra
inferred← citeshttps://doi.org/10.3390/foods10051123openalex-snapshot
Discrimination Ability of Assessors in Check-All-That-Apply Tests: Method and Product Development
inferred← citeshttps://doi.org/10.3390/ijms17091508openalex-snapshot
Virtual Screening Approaches towards the Discovery of Toll-Like Receptor Modulators
inferred← citeshttps://doi.org/10.3390/ijms21155576openalex-snapshot
The Literature of Chemoinformatics: 1978–2018
inferred← citeshttps://doi.org/10.3390/ijms22136907openalex-snapshot
Elucidating the Mechanism of Action of the Attributed Immunomodulatory Role of Eltrombopag in Primary Immune Thrombocytopenia: An In Silico Approach
inferred← citeshttps://doi.org/10.3390/math13030384openalex-snapshot
Generalizations and Properties of Normalized Similarity Measures for Boolean Models
inferred← citeshttps://doi.org/10.3390/metabo12080694openalex-snapshot
Comparative Analysis of Binary Similarity Measures for Compound Identification in Mass Spectrometry-Based Metabolomics
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