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Design and Evaluation of a Novel Class-Directed 2D Fingerprint to Search for Structurally Diverse Active Compounds
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1021/ci0001482openalex-snapshot
Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening
inferredcites →https://doi.org/10.1021/ci0100144openalex-snapshot
Protocols for Bridging the Peptide to Nonpeptide Gap in Topological Similarity Searches
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/ci034231bopenalex-snapshot
Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures
inferredcites →https://doi.org/10.1021/ci049867xopenalex-snapshot
Enhancing the Effectiveness of Virtual Screening by Fusing Nearest Neighbor Lists: A Comparison of Similarity Coefficients
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/ci950169+openalex-snapshot
Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets
inferredcites →https://doi.org/10.1021/ci960090kopenalex-snapshot
Chemical Fragment Generation and Clustering Software
inferredcites →https://doi.org/10.1021/ci960151eopenalex-snapshot
Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural Descriptors
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/ci990162iopenalex-snapshot
The Characterization of Chemical Structures Using Molecular Properties. A Survey
inferredcites →https://doi.org/10.1021/jm049501bopenalex-snapshot
“Lead Hopping”. Validation of Topomer Similarity as a Superior Predictor of Similar Biological Activities
inferredcites →https://doi.org/10.1021/jm051110popenalex-snapshot
Determination and Mapping of Activity-Specific Descriptor Value Ranges for the Identification of Active Compounds
inferredcites →https://doi.org/10.1021/jm9806998openalex-snapshot
New 4-Point Pharmacophore Method for Molecular Similarity and Diversity Applications: Overview of the Method and Applications, Including a Novel Approach to the Design of Combinatorial Libraries Containing Privileged Substructures
inferredcites →https://doi.org/10.1021/jm990578nopenalex-snapshot
A Rapid Computational Method for Lead Evolution: Description and Application to α1-Adrenergic Antagonists
inferredcites →https://doi.org/10.1038/nrd941openalex-snapshot
Integration of virtual and high-throughput screening
inferredcites →https://doi.org/10.1073/pnas.84.13.4355openalex-snapshot
Profile analysis: detection of distantly related proteins.
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/10.1002/9780470567623.ch4openalex-snapshot
Data Mining Approaches for Compound Selection and Iterative Screening
inferred← citeshttps://doi.org/10.1002/chin.200708201openalex-snapshot
Design and Evaluation of a Novel Class‐Directed 2D Fingerprint to Search for Structurally Diverse Active Compounds.
inferred← citeshttps://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
inferred← citeshttps://doi.org/10.1002/cmdc.200700090openalex-snapshot
Introduction of a Generally Applicable Method to Estimate Retrieval of Active Molecules for Similarity Searching using Fingerprints
inferred← citeshttps://doi.org/10.1002/cmdc.200800408openalex-snapshot
Improving the Search Performance of Extended Connectivity Fingerprints through Activity‐Oriented Feature Filtering and Application of a Bit‐Density‐Dependent Similarity Function
inferred← citeshttps://doi.org/10.1002/cmdc.200900243openalex-snapshot
Molecular Fingerprint Recombination: Generating Hybrid Fingerprints for Similarity Searching from Different Fingerprint Types
inferred← citeshttps://doi.org/10.1002/cmdc.201000089openalex-snapshot
Rendering Conventional Molecular Fingerprints for Virtual Screening Independent of Molecular Complexity and Size Effects
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_6openalex-snapshot
Predicting the Performance of Fingerprint Similarity Searching
inferred← citeshttps://doi.org/10.1016/b978-0-08-099420-8.00003-1openalex-snapshot
Step IIIa: Biological Hit Discovery Through High-Throughput Screening (HTS): Random Approaches and Rational Design
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12345-5openalex-snapshot
Chemical Data Formats, Fingerprints, and Other Molecular Descriptions for Database Analysis and Searching
inferred← citeshttps://doi.org/10.1016/b978-0-443-18611-0.00008-5openalex-snapshot
Computational methods for scaffold hopping
inferred← citeshttps://doi.org/10.1016/j.compbiomed.2024.108814openalex-snapshot
VmmScore: An umami peptide prediction and receptor matching program based on a deep learning approach
inferred← citeshttps://doi.org/10.1016/j.drudis.2007.01.011openalex-snapshot
Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches
inferred← citeshttps://doi.org/10.1021/ci1002075openalex-snapshot
PZIM: A Method for Similarity Searching Using Atom Environments and 2D Alignment
inferred← citeshttps://doi.org/10.1021/ci100250zopenalex-snapshot
Toward the Discovery of Functional Transthyretin Amyloid Inhibitors: Application of Virtual Screening Methods
inferred← citeshttps://doi.org/10.1021/ci700461sopenalex-snapshot
Support-Vector-Machine-Based Ranking Significantly Improves the Effectiveness of Similarity Searching Using 2D Fingerprints and Multiple Reference Compounds
inferred← citeshttps://doi.org/10.1021/ci8002045openalex-snapshot
Bit Silencing in Fingerprints Enables the Derivation of Compound Class-Directed Similarity Metrics
inferred← citeshttps://doi.org/10.1021/ci900204yopenalex-snapshot
LigMatch: A Multiple Structure-Based Ligand Matching Method for 3D Virtual Screening
inferred← citeshttps://doi.org/10.1021/jo201554gopenalex-snapshot
Preparation of Optically Pure α-Trifluoromethyl-α-amino Acids from N-Tosyl-2-trifluoromethyl-2-alkyloxycarbonyl Aziridine
inferred← citeshttps://doi.org/10.1039/9781847558879-00120openalex-snapshot
Molecular Similarity Analysis in Virtual Screening
inferred← citeshttps://doi.org/10.1093/bib/bbp023openalex-snapshot
Recent advances in computer-aided drug design
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2007.00555.xopenalex-snapshot
Methods for Computer‐aided Chemical Biology. Part 2: Evaluation of Compound Selectivity Using 2D Molecular Fingerprints
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2008.00664.xopenalex-snapshot
Random Reduction in Fingerprint Bit Density Improves Compound Recall in Search Calculations Using Complex Reference Molecules
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2008.00723.xopenalex-snapshot
RelACCS‐FP: A Structural Minimalist Approach to Fingerprint Design
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2009.00930.xopenalex-snapshot
Reduction and Recombination of Fingerprints of Different Design Increase Compound Recall and the Structural Diversity of Hits
inferred← citeshttps://doi.org/10.1134/s1070363210120248openalex-snapshot
Computational methods and software in computer-aided combinatorial library design
inferred← citeshttps://doi.org/10.1177/0092861512460759openalex-snapshot
A Practical Estimation Method for Analyzing Adverse Drug Reactions Using Data Mining
inferred← citeshttps://doi.org/10.1371/journal.pone.0058321openalex-snapshot
Detection of Drug-Drug Interactions by Modeling Interaction Profile Fingerprints
inferred← citeshttps://doi.org/10.1517/17460441.2010.486830openalex-snapshot
Advances in 2D fingerprint similarity searching
inferred← citeshttps://doi.org/10.2174/09298673113209990001openalex-snapshot
Virtual Screening Strategies in Drug Discovery: A Critical Review
inferred← citeshttps://doi.org/10.4155/fmc.12.126openalex-snapshot
Fingerprint Design And Engineering Strategies: Rationalizing And Improving Similarity Search Performance
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