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Relevance of Feature Combinations for Similarity Searching Using General or Activity Class-Directed Molecular Fingerprints

https://doi.org/10.1021/ci800377n
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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.200700199openalex-snapshot
Similarity Searching using Compound Class‐Specific Combinations of Substructures Found in Randomly Generated Molecular Fragment Populations
inferredcites →https://doi.org/10.1007/s11030-006-9039-zopenalex-snapshot
Reverse fingerprinting, similarity searching by group fusion and fingerprint bit importance
inferredcites →https://doi.org/10.1007/s11030-008-9078-8openalex-snapshot
Distribution of randomly generated activity class characteristic substructures in diverse active and database compounds
inferredcites →https://doi.org/10.1021/ci010132ropenalex-snapshot
Reoptimization of MDL Keys for Use in Drug Discovery
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/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
inferredcites →https://doi.org/10.1021/ci700251bopenalex-snapshot
Mapping of Activity-Specific Fragment Pathways Isolated from Random Fragment Populations Reveals the Formation of Coherent Molecular Cores
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/ci960151eopenalex-snapshot
Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural Descriptors
inferredcites →https://doi.org/10.1021/ci9800211openalex-snapshot
Chemical Similarity Searching
inferredcites →https://doi.org/10.1021/jm800515ropenalex-snapshot
Formal Concept Analysis for the Identification of Molecular Fragment Combinations Specific for Active and Highly Potent Compounds
inferredcites →https://doi.org/10.1145/362342.362367openalex-snapshot
Algorithm 457: finding all cliques of an undirected graph

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527633326.ch3openalex-snapshot
Ligand‐Based Virtual Screening
inferred← citeshttps://doi.org/10.1002/wcms.23openalex-snapshot
Similarity searching
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_17openalex-snapshot
The Interweaving of Cheminformatics and HTS
inferred← citeshttps://doi.org/10.1007/978-3-319-10226-9_1openalex-snapshot
Introduction to Molecular Similarity and Chemical Space
inferred← citeshttps://doi.org/10.1016/j.chemolab.2010.06.008openalex-snapshot
Automatic feature subset selection for decision tree-based ensemble methods in the prediction of bioactivity
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00408openalex-snapshot
HydraMap v.2: Prediction of Hydration Sites and Desolvation Energy with Refined Statistical Potentials
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00619openalex-snapshot
Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation
inferred← citeshttps://doi.org/10.1021/ci100050topenalex-snapshot
Extended-Connectivity Fingerprints
inferred← citeshttps://doi.org/10.1021/ci300400aopenalex-snapshot
In silico Prediction of Chemical Ames Mutagenicity
inferred← citeshttps://doi.org/10.1038/s41467-025-60315-1openalex-snapshot
An AI-assisted fluorescence microscopic system for screening mitophagy inducers by simultaneous analysis of mitophagic intermediates
inferred← citeshttps://doi.org/10.1186/s13321-018-0311-xopenalex-snapshot
Statistical-based database fingerprint: chemical space dependent representation of compound databases
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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