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  1. 1
    The Literature of Chemoinformatics: 1978–2018
    by Peter Willett
    Published 2020-08-01
    Subjects: “...cheminformatics...”
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    Article
  2. 2
    On the information content of 2D and 3D descriptors for QSAR
    by Oprea Tudor I.
    Published 2002-01-01
    Subjects: “...cheminformatics...”
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    Article
  3. 3
    PepFun: Open Source Protocols for Peptide-Related Computational Analysis
    by Rodrigo Ochoa, Pilar Cossio
    Published 2021-03-01
    Subjects: “...cheminformatics...”
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    Article
  4. 4
    Sense of achievement
    by Markus Knaden, Bill S Hansson
    Published 2013-10-01
    Subjects: “...cheminformatics...”
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    Article
  5. 5
    Expanding the olfactory code by in silico decoding of odor-receptor chemical space
    Subjects: “...cheminformatics...”
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    Article
  6. 6
    Profiling the antidepressant properties of phenyl piperidine derivatives as inhibitors of serotonin transporter (SERT) via cheminformatics modeling, molecular docking and ADMET predictions.
    Subjects: “...Cheminformatics...”
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    Article
  7. 7
    The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching
    Subjects: “...Cheminformatics...”
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    Article
  8. 8
    Prevention of Deficit in Neuropsychiatric Disorders through Monitoring of Arsenic and Its Derivatives as Well as Through Bioinformatics and Cheminformatics
    Subjects: “...cheminformatics...”
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    Article
  9. 9
    Application of Data Pipelining Technology in Cheminformatics and Bioinformatics
    by Mao, Linyong
    Published 2005
    Subjects: “...cheminformatics...”
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  10. 10
    MetMaxStruct: a Tversky-similarity-based strategy for analysing the (sub)structural similarities of drugs and endogenous metabolites
    by Steve O'Hagan, Douglas Bruce Kell
    Published 2016-08-01
    Subjects: “...Cheminformatics...”
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    Article
  11. 11
    Generating Multibillion Chemical Space of Readily Accessible Screening Compounds
    Subjects: “...Cheminformatics...”
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  12. 12
    Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolites
    by Steve eO'Hagan, Douglas Bruce Kell
    Published 2015-05-01
    Subjects: “...Cheminformatics...”
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    Article
  13. 13
    Selecting Diversified Compounds to Build a Tangible Library for Biological and Biochemical Assays
    by Qiong Gu, Jun Xu, Lianquan Gu
    Published 2010-07-01
    Subjects: “...cheminformatics...”
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    Article
  14. 14
    Chemical Informatics Functionality in R
    by Rajarshi Guha
    Published 2007-01-01
    Subjects: “...cheminformatics...”
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    Article
  15. 15
    Consensus rank orderings of molecular fingerprints illustrate the most genuine similarities between marketed drugs and small endogenous human metabolites, but highlight exogenous natural products as the most important ‘natural’ drug transporter substrates
    by Steve O'Hagan, Douglas Bruce Kell
    Published 2017-06-01
    Subjects: “...cheminformatics...”
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    Article
  16. 16
    Investigation of Cyclobenzaprine Interactions with P450 Cytochromes CYP1A2 and CYP3A4 through Molecular Docking Tools
    Subjects: “...cheminformatics...”
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    Article
  17. 17
    SWnet: a deep learning model for drug response prediction from cancer genomic signatures and compound chemical structures
    Subjects: “...Cheminformatics...”
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    Article
  18. 18
    Structural Similarities between Some Common Fluorophores Used in Biology, Marketed Drugs, Endogenous Metabolites, and Natural Products
    by Steve O’Hagan, Douglas B. Kell
    Published 2020-11-01
    Subjects: “...cheminformatics...”
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    Article
  19. 19
    Informatics and Computational Methods in Natural Product Drug Discovery: A Review and Perspectives
    Subjects: “...cheminformatics...”
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    Article
  20. 20
    Automated reaction database and reaction network analysis: extraction of reaction templates using cheminformatics
    Subjects: “...Cheminformatics...”
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    Article
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