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Structural Diversity of Small Molecule Libraries
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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.19860050105openalex-snapshot
A Comparison of Some Measures for the Determination of Inter‐Molecular Structural Similarity Measures of Inter‐Molecular Structural Similarity
inferredcites →https://doi.org/10.1016/0223-5234(87)90020-1openalex-snapshot
Similarity and clustering in chemical information systems
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
inferredcites →https://doi.org/10.1021/c160034a005openalex-snapshot
Eleven Years' Experience with S K & F Structure Fragment Code
inferredcites →https://doi.org/10.1021/ci00010a009openalex-snapshot
Automatic identification of molecular similarity using reduced-graph representation of chemical structure
inferredcites →https://doi.org/10.1021/ja00465a042openalex-snapshot
Structure elucidation with lanthanide-induced shifts. 2. Conformational analysis of cyclohexanecarbonitrile
inferredcites →https://doi.org/10.1021/jm9706776openalex-snapshot
A Scoring Scheme for Discriminating between Drugs and Nondrugs
inferredcites →https://doi.org/10.1145/362342.362367openalex-snapshot
Algorithm 457: finding all cliques of an undirected graph
inferredcites →https://doi.org/10.1145/362342.362369openalex-snapshot
Remark on Algorithm 323: Generation of Permutations in Lexicographic Order [G6]
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/chin.200122179openalex-snapshot
ChemInform Abstract: Structural Diversity of Small Molecule Libraries.
inferred← citeshttps://doi.org/10.1002/jcc.24423openalex-snapshot
Using the gini coefficient to measure the chemical diversity of small‐molecule libraries
inferred← citeshttps://doi.org/10.1002/qsar.200510157openalex-snapshot
A Fragment‐weighted Key‐based Similarity Measure for Use in Structural Clustering and Virtual Screening
inferred← citeshttps://doi.org/10.1007/978-981-99-2423-3_6openalex-snapshot
Drug Design Methods to Regulate Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1007/s11030-006-8697-1openalex-snapshot
Molecular similarity and diversity in chemoinformatics: From theory to applications
inferred← citeshttps://doi.org/10.1016/j.drudis.2011.06.011openalex-snapshot
Redox-active nuisance screening compounds and their classification
inferred← citeshttps://doi.org/10.1021/cc049866hopenalex-snapshot
Focused Combinatorial Library Design Based on Structural Diversity, Druglikeness and Binding Affinity Score
inferred← citeshttps://doi.org/10.1021/ci0501342openalex-snapshot
Posetic Quantitative Superstructure/Activity Relationships (QSSARs) for Chlorobenzenes
inferred← citeshttps://doi.org/10.1021/ci0503210openalex-snapshot
In Silico Prediction of Buffer Solubility Based on Quantum-Mechanical and HQSAR- and Topology-Based Descriptors
inferred← citeshttps://doi.org/10.1023/a:1021271615909openalex-snapshot
Maximum common subgraph isomorphism algorithms for the matching of chemical structures
inferred← citeshttps://doi.org/10.1039/c8ra08023bopenalex-snapshot
First synthesis of novel 2,4-bis(( E )-styryl)quinoline-3-carboxylate derivatives and their antitumor activity
inferred← citeshttps://doi.org/10.1080/17460441.2022.2147503openalex-snapshot
Virtual screening and zebrafish models in tandem, for drug discovery and development
inferred← citeshttps://doi.org/10.3390/molecules25204723openalex-snapshot
Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening Approaches
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