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Structural Unit Analysis Identifies Lead Series and Facilitates Scaffold Hopping in Combinatorial Chemistry

https://doi.org/10.1021/ci050432z
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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/qsar.200330860openalex-snapshot
Status of HTS Data Mining Approaches
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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Novel technologies for virtual screening
inferredcites →https://doi.org/10.1021/cen-v083n032.p055openalex-snapshot
230TH ACS NATIONAL MEETING
inferredcites →https://doi.org/10.1021/ci025592eopenalex-snapshot
Similarity Searching Using Reduced Graphs
inferredcites →https://doi.org/10.1021/ci970429iopenalex-snapshot
RECAPRetrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry
inferredcites →https://doi.org/10.1023/a:1008068904628openalex-snapshot
Feature trees: A new molecular similarity measure based on tree matching

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9780470915110.ch11openalex-snapshot
Fragment‐Based Drug Design: Considerations for Good ADME Properties
inferred← citeshttps://doi.org/10.1002/9783527655984.ch10openalex-snapshot
Applications of Rule‐Based Methods to Data Mining of Polypharmacology Data Sets
inferred← citeshttps://doi.org/10.1002/chin.200630230openalex-snapshot
Structural Unit Analysis Identifies Lead Series and Facilitates Scaffold Hopping in Combinatorial Chemistry.
inferred← citeshttps://doi.org/10.1002/cmdc.200800355openalex-snapshot
SHOP: A Method For Structure‐Based Fragment and Scaffold Hopping
inferred← citeshttps://doi.org/10.1002/qsar.200610091openalex-snapshot
Scaffold‐Hopping: How Far Can You Jump?
inferred← citeshttps://doi.org/10.1007/s10822-010-9361-5openalex-snapshot
Successful identification of key chemical structure modifications that lead to improved ADME profiles
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/j.cbpa.2008.02.015openalex-snapshot
New directions in library design and analysis
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00198openalex-snapshot
Perspectives on Knowledge Discovery Algorithms Recently Introduced in Chemoinformatics: Rough Set Theory, Association Rule Mining, Emerging Patterns, and Formal Concept Analysis
inferred← citeshttps://doi.org/10.1021/ci700369eopenalex-snapshot
Indirect Similarity Based Methods for Effective Scaffold-Hopping in Chemical Compounds
inferred← citeshttps://doi.org/10.1021/cr050984gopenalex-snapshot
Nonpeptidic Ligands for Peptide-Activated G Protein-Coupled Receptors
inferred← citeshttps://doi.org/10.1021/jm1004495openalex-snapshot
Scaffold Explorer: An Interactive Tool for Organizing and Mining Structure−Activity Data Spanning Multiple Chemotypes
inferred← citeshttps://doi.org/10.1021/jm800515ropenalex-snapshot
Formal Concept Analysis for the Identification of Molecular Fragment Combinations Specific for Active and Highly Potent Compounds
inferred← citeshttps://doi.org/10.1142/9781860948732_0041openalex-snapshot
METHODS FOR EFFECTIVE VIRTUAL SCREENING AND SCAFFOLD-HOPPING IN CHEMICAL COMPOUNDS
inferred← citeshttps://doi.org/10.1517/17460441.1.4.311openalex-snapshot
Leadhopping – and beyond
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