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Multifingerprint Based Similarity Searches for Targeted Class Compound Selection

https://doi.org/10.1021/ci0504723
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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/(sici)1521-3773(19991004)38:19<2894::aid-anie2894>3.0.co;2-fopenalex-snapshot
“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening
inferredcites →https://doi.org/10.1002/(sici)1521-3773(19991004)38:19<2896::aid-anie2896>3.0.co;2-3openalex-snapshot
Cascade Reactions in Quantitative Solid-State Syntheses
inferredcites →https://doi.org/10.1016/s1359-6446(02)02411-xopenalex-snapshot
Why do we need so many chemical similarity search methods?
inferredcites →https://doi.org/10.1021/cc0000388openalex-snapshot
Chemography: The Art of Navigating in Chemical Space
inferredcites →https://doi.org/10.1021/ci00023a009openalex-snapshot
Simulation Analysis of Experimental Design Strategies for Screening Random Compounds as Potential New Drugs and Agrochemicals
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/ci9800211openalex-snapshot
Chemical Similarity Searching
inferredcites →https://doi.org/10.1021/jm960290nopenalex-snapshot
Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” Descriptors
inferredcites →https://doi.org/10.1021/jm960352+openalex-snapshot
Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors
inferredcites →https://doi.org/10.1021/jp980230oopenalex-snapshot
Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods
inferredcites →https://doi.org/10.1039/b409813gopenalex-snapshot
Molecular similarity: a key technique in molecular informatics
inferredcites →https://doi.org/10.1039/b409865jopenalex-snapshot
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures
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
inferredcites →https://doi.org/10.2174/1568026053828376openalex-snapshot
Key Aspects of the Novartis Compound Collection Enhancement Project for the Compilation of a Comprehensive Chemogenomics Drug Discovery Screening Collection

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/9783527621286.ch17openalex-snapshot
Properties Guiding Drug‐ and Lead‐Likeness
inferred← citeshttps://doi.org/10.1002/9783527665143.ch07openalex-snapshot
CATS for Scaffold Hopping in Medicinal Chemistry
inferred← citeshttps://doi.org/10.1002/aris.2009.1440430108openalex-snapshot
Similarity methods in chemoinformatics
inferred← citeshttps://doi.org/10.1002/chin.200630232openalex-snapshot
Multifingerprint Based Similarity Searches for Targeted Class Compound Selection.
inferred← citeshttps://doi.org/10.1002/minf.201200030openalex-snapshot
SARConnect: A Tool to Interrogate the Connectivity Between Proteins, Chemical Structures and Activity Data
inferred← citeshttps://doi.org/10.1002/qsar.200610084openalex-snapshot
Enhancing the Effectiveness of Ligand‐Based Virtual Screening Using Data Fusion
inferred← citeshttps://doi.org/10.1002/qsar.200810178openalex-snapshot
Designing a Combinatorial Library by Using Reagent Pharmacophore Fingerprint
inferred← citeshttps://doi.org/10.1002/qsar.200960062openalex-snapshot
Bayesian Inference Network Significantly Improves the Effectiveness of Similarity Searching Using Multiple 2D Fingerprints and Multiple Reference Structures
inferred← citeshttps://doi.org/10.1007/7355_2009_3openalex-snapshot
Lead Discovery Using Virtual Screening
inferred← citeshttps://doi.org/10.1007/978-1-4419-6045-0_19openalex-snapshot
Trends in Chemical Graph Data Mining
inferred← citeshttps://doi.org/10.1007/978-1-60761-931-4_7openalex-snapshot
Combinatorial Library Design from Reagent Pharmacophore Fingerprints
inferred← citeshttps://doi.org/10.1007/978-1-62703-050-2_15openalex-snapshot
Ligand- and Structure-Based Pregnane X Receptor Models
inferred← citeshttps://doi.org/10.1007/978-3-319-10226-9_1openalex-snapshot
Introduction to Molecular Similarity and Chemical Space
inferred← citeshttps://doi.org/10.1007/978-3-642-35326-0_25openalex-snapshot
LWDOSM: Language for Writing Descriptors of Outline Shape of Molecules
inferred← citeshttps://doi.org/10.1007/978-3-642-36543-0_33openalex-snapshot
LINGO-DOSM: LINGO for Descriptors of Outline Shape of Molecules
inferred← citeshttps://doi.org/10.1007/s10822-009-9264-5openalex-snapshot
Design of compound libraries for fragment screening
inferred← citeshttps://doi.org/10.1007/s10822-020-00336-8openalex-snapshot
Monomer structure fingerprints: an extension of the monomer composition version for peptide databases
inferred← citeshttps://doi.org/10.1007/s10822-021-00440-3openalex-snapshot
Turbo prediction: a new approach for bioactivity prediction
inferred← citeshttps://doi.org/10.1007/s10822-026-00953-9openalex-snapshot
Identification of new ER-targeted anticancer hits active against MCF-7 breast cancer cells in the marine fungal secondary metabolite library using computative and experimental approaches
inferred← citeshttps://doi.org/10.1007/s11095-008-9809-7openalex-snapshot
Hybrid Scoring and Classification Approaches to Predict Human Pregnane X Receptor Activators
inferred← citeshttps://doi.org/10.1016/bs.armc.2017.07.001openalex-snapshot
Phenotypic Screening
inferred← citeshttps://doi.org/10.1016/j.bmc.2008.05.021openalex-snapshot
High throughput solubility determination with application to selection of compounds for fragment screening
inferred← citeshttps://doi.org/10.1016/j.bmc.2010.07.010openalex-snapshot
Identification of novel antitubercular compounds through hybrid virtual screening approach
inferred← citeshttps://doi.org/10.1016/j.chemolab.2010.04.007openalex-snapshot
Three-dimensional vector of pharmacophore atomic interaction and its applications to stereoisomeric description
inferred← citeshttps://doi.org/10.1016/j.drudis.2012.10.011openalex-snapshot
Big pharma screening collections: more of the same or unique libraries? The AstraZeneca–Bayer Pharma AG case
inferred← citeshttps://doi.org/10.1016/j.genrep.2019.100553openalex-snapshot
Evaluating new strategies for anticancer molecules from ethnic medicinal plants through in silico and biological approach - A review
inferred← citeshttps://doi.org/10.1016/j.jbi.2020.103547openalex-snapshot
Multi-view self-attention for interpretable drug–target interaction prediction
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c01160openalex-snapshot
FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00375openalex-snapshot
Investigating Pharmacological Similarity by Charting Chemical Space
inferred← citeshttps://doi.org/10.1021/acschembio.6b00683openalex-snapshot
Phenotypic Screen for Cardiac Regeneration Identifies Molecules with Differential Activity in Human Epicardium-Derived Cells versus Cardiac Fibroblasts
inferred← citeshttps://doi.org/10.1021/acsomega.1c04587openalex-snapshot
Similarity-Based Virtual Screen Using Enhanced Siamese Deep Learning Methods
inferred← citeshttps://doi.org/10.1021/ci1002608openalex-snapshot
Electron Density Fingerprints (EDprints): Virtual Screening Using Assembled Information of Electron Density
inferred← citeshttps://doi.org/10.1021/ci100270xopenalex-snapshot
Capturing Structure−Activity Relationships from Chemogenomic Spaces
inferred← citeshttps://doi.org/10.1021/ci3004094openalex-snapshot
Virtual Fragment Screening: Discovery of Histamine H3 Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints
inferred← citeshttps://doi.org/10.1021/ci300547gopenalex-snapshot
Combination of Similarity Rankings Using Data Fusion
inferred← citeshttps://doi.org/10.1021/ci6002152openalex-snapshot
Lingos, Finite State Machines, and Fast Similarity Searching
inferred← citeshttps://doi.org/10.1021/ci600392ropenalex-snapshot
eHiTS-to-VMD Interface Application. The Search for Tyrosine−tRNA Ligase Inhibitors
inferred← citeshttps://doi.org/10.1021/ci7003626openalex-snapshot
Maximum Common Binding Modes (MCBM): Consensus Docking Scoring Using Multiple Ligand Information and Interaction Fingerprints
inferred← citeshttps://doi.org/10.1021/ci700372sopenalex-snapshot
Using Molecular Fingerprint as Descriptors in the QSPR Study of Lipophilicity
inferred← citeshttps://doi.org/10.1021/ci700380xopenalex-snapshot
Alternative Global Goodness Metrics and Sensitivity Analysis: Heuristics to Check the Robustness of Conclusions from Studies Comparing Virtual Screening Methods
inferred← citeshttps://doi.org/10.1021/ci800231dopenalex-snapshot
ProSAR: A New Methodology for Combinatorial Library Design
inferred← citeshttps://doi.org/10.1021/ci800326zopenalex-snapshot
Comparison of Molecular Fingerprint Methods on the Basis of Biological Profile Data
inferred← citeshttps://doi.org/10.1021/ci900074topenalex-snapshot
Novel Application of 2D and 3D-Similarity Searches To Identify Substrates among Cytochrome P450 2C9, 2D6, and 3A4
inferred← citeshttps://doi.org/10.1039/9781849734912-00050openalex-snapshot
Chemoinformatic Approaches to Target Identification
inferred← citeshttps://doi.org/10.1039/c4np00068dopenalex-snapshot
Chemo- and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review
inferred← citeshttps://doi.org/10.1074/jbc.ra119.011251openalex-snapshot
Identification and analyses of inhibitors targeting apolipoprotein(a) kringle domains KIV-7, KIV-10, and KV provide insight into kringle domain function
inferred← citeshttps://doi.org/10.1080/08927022.2011.616891openalex-snapshot
Identification of DNA adduct formation of small molecules by molecular descriptors and machine learning methods
inferred← citeshttps://doi.org/10.1093/bib/bby061openalex-snapshot
Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases
inferred← citeshttps://doi.org/10.1109/icacsis.2013.6761572openalex-snapshot
New strategy for Turbo Similarity Searching: Implementation and testing
inferred← citeshttps://doi.org/10.1109/iccwamtip47768.2019.9067510openalex-snapshot
Drug-Target Indication Prediction by Integrating End-To-End Learning And Fingerprints
inferred← citeshttps://doi.org/10.1109/icdm.2006.39openalex-snapshot
Comparison of Descriptor Spaces for Chemical Compound Retrieval and Classification
inferred← citeshttps://doi.org/10.1109/infos.2014.7036702openalex-snapshot
Clustering of chemical data sets for drug discovery
inferred← citeshttps://doi.org/10.1142/s273741652450039xopenalex-snapshot
Repurposing FDA-Approved Drugs as Potential Inhibitors of SARS-CoV-2 PLpro: A Comprehensive Computational Study
inferred← citeshttps://doi.org/10.1155/2022/7270094openalex-snapshot
Structure-Based Virtual Screening, Docking, ADMET, Molecular Dynamics, and MM-PBSA Calculations for the Discovery of Potential Natural SARS-CoV-2 Helicase Inhibitors from the Traditional Chinese Medicine
inferred← citeshttps://doi.org/10.1155/2024/5084553openalex-snapshot
Multistaged In Silico Discovery of the Best SARS-CoV-2 Main Protease Inhibitors amongst 3009 Clinical and FDA-Approved Compounds
inferred← citeshttps://doi.org/10.11606/d.75.2011.tde-17042012-103806openalex-snapshot
Sobre os estudos metabólicos de fármacos empregando-se atividade enzimática de CYP450 visando-se estabelecer correlações entre estrutura e atividade
inferred← citeshttps://doi.org/10.11606/d.75.2012.tde-17042012-103806openalex-snapshot
Sobre os estudos metabólicos de fármacos empregando-se atividade enzimática de CYP450 visando-se estabelecer correlações entre estrutura e atividade
inferred← citeshttps://doi.org/10.11606/t.76.2008.tde-09062008-110714openalex-snapshot
Planejamento de inibidores da enzima gliceraldeído-3-fosfato desidrogenase de Trypanosoma cruzi: biologia estrutural e química medicinal
inferred← citeshttps://doi.org/10.1177/13596535241305536openalex-snapshot
Repurposing FDA-approved drugs for COVID-19: targeting the main protease through multi-phase in silico approach
inferred← citeshttps://doi.org/10.1177/17475198241298547openalex-snapshot
Discovery of potential FDA-approved SARS-CoV-2 Papain-like protease inhibitors: A multi-phase in silico approach
inferred← citeshttps://doi.org/10.1177/1934578x241246738openalex-snapshot
Computer-Assisted Drug Discovery of Potential African Anti-SARS-CoV-2 Natural Products Targeting the Helicase Protein
inferred← citeshttps://doi.org/10.1177/2472555220909726openalex-snapshot
Combined siRNA and Small-Molecule Phenotypic Screening Identifies Targets Regulating Rhinovirus Replication in Primary Human Bronchial Epithelial Cells
inferred← citeshttps://doi.org/10.1186/1758-2946-3-33openalex-snapshot
Open Babel: An open chemical toolbox
inferred← citeshttps://doi.org/10.1186/s13321-016-0130-xopenalex-snapshot
Improving chemical similarity ensemble approach in target prediction
inferred← citeshttps://doi.org/10.1186/s13321-021-00523-1openalex-snapshot
LigTMap: ligand and structure-based target identification and activity prediction for small molecular compounds
inferred← citeshttps://doi.org/10.2174/156802607782341091openalex-snapshot
An Integrated Approach to Fragment-Based Lead Generation:Philosophy, Strategy and Case Studies from AstraZenecas Drug Discovery Programmes
inferred← citeshttps://doi.org/10.26434/chemrxiv.12923474openalex-snapshot
LigTMap: Ligand and Structure-Based Target Identification and Activity Prediction for Small Molecular Compounds
inferred← citeshttps://doi.org/10.26434/chemrxiv.12923474.v1openalex-snapshot
LigTMap: Ligand and Structure-Based Target Identification and Activity Prediction for Small Molecules
inferred← citeshttps://doi.org/10.3390/metabo12111122openalex-snapshot
The Discovery of Potential SARS-CoV-2 Natural Inhibitors among 4924 African Metabolites Targeting the Papain-like Protease: A Multi-Phase In Silico Approach
inferred← citeshttps://doi.org/10.3390/molecules26216669openalex-snapshot
Similarity-Based Virtual Screen Using Enhanced Siamese Multi-Layer Perceptron
inferred← citeshttps://doi.org/10.3390/pr10030530openalex-snapshot
Multi-Phase In Silico Discovery of Potential SARS-CoV-2 RNA-Dependent RNA Polymerase Inhibitors among 3009 Clinical and FDA-Approved Related Drugs
inferred← citeshttps://doi.org/10.6026/97320630003189openalex-snapshot
Pre-docking filter for protein and ligand 3D structures
inferred← citeshttps://doi.org/10.6084/m9.figshare.14767201openalex-snapshot
Additional file 1 of LigTMap: ligand and structure-based target identification and activity prediction for small molecular compounds
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