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Selection of Descriptors According to Discrimination and Redundancy. Application to Chemical Structure Searching

https://doi.org/10.1021/ci60006a012
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Structure and Substructure Searching
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Searching Databases of Three‐Dimensional Structures
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Similarity Searching in Databases of Chemical Structures
inferred← citeshttps://doi.org/10.1002/9780470147306.ch5openalex-snapshot
Searching Techniques for Databases of Three‐Dimensional Chemical Structures
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Design and Diversity Analysis of Compound Libraries for Lead Discovery
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A History of Chemoinformatics
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Matching of Chemical and Biological Structures Using Subgraph and Maximal Common Subgraph Isomorphism Algorithms
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Similarity Searching Using 2D Structural Fingerprints
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Substructure Searching in Files of Three-Dimensional Chemical Structures
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inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00085-7openalex-snapshot
Chemoinformatics
inferred← citeshttps://doi.org/10.1016/s1359-6446(98)01186-6openalex-snapshot
Approaches to virtual library design
inferred← citeshttps://doi.org/10.1021/ci00002a004openalex-snapshot
The development of versions 3 and 4 of the Cambridge Structural Database System
inferred← citeshttps://doi.org/10.1021/ci9501047openalex-snapshot
Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
inferred← citeshttps://doi.org/10.1021/ci950393zopenalex-snapshot
Computer Generation of Molecular Structures by the SMOG Program
inferred← citeshttps://doi.org/10.1021/ci9908190openalex-snapshot
Binary Formal Inference-Based Recursive Modeling Using Multiple Atom and Physicochemical Property Class Pair and Torsion Descriptors as Decision Criteria
inferred← citeshttps://doi.org/10.1021/jm051029mopenalex-snapshot
Assessment of in Vitro and in Vivo Activities in the National Cancer Institute's Anticancer Screen with Respect to Chemical Structure, Target Specificity, and Mechanism of Action
inferred← citeshttps://doi.org/10.1021/jm0582165openalex-snapshot
Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
inferred← citeshttps://doi.org/10.1108/eb026671openalex-snapshot
MATHEMATICS AND INFORMATION RETRIEVAL
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On the Probability Distribution of Superimposed Random Codes
inferred← citeshttps://doi.org/10.1145/270886.270887openalex-snapshot
Lab report special section
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From chemical documentation to chemoinformatics: 50 years of chemical information science
inferred← citeshttps://doi.org/10.1186/s13321-024-00919-9openalex-snapshot
Searching chemical databases in the pre-history of cheminformatics
inferred← citeshttps://doi.org/10.1201/9780203913390.ch20openalex-snapshot
Molecular Descriptors
inferred← citeshttps://doi.org/10.1897/01-198openalex-snapshot
Structure-activity relationship approaches and applications
inferred← citeshttps://doi.org/10.29085/9781856049986.010openalex-snapshot
From chemical documentation to chemoinformatics: 50 years of chemical information science
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