Showing 1 - 20 results of 45 for search '"medicinal chemistry"', query time: 0.41s Refine Results
  1. 1
    The ‘SAR Matrix’ method and its extensions for applications in medicinal chemistry and chemogenomics [v1; ref status: indexed, http://f1000r.es/3gh]
    by Disha Gupta-Ostermann, Jürgen Bajorath
    Published 2014-05-01
    Get full text
    Article
  2. 2
    The ‘SAR Matrix’ method and its extensions for applications in medicinal chemistry and chemogenomics [v2; ref status: indexed, http://f1000r.es/3rg]
    by Disha Gupta-Ostermann, Jürgen Bajorath
    Published 2014-06-01
    Get full text
    Article
  3. 3
    Matched molecular pair-based data sets for computer-aided medicinal chemistry [v2; ref status: indexed, http://f1000r.es/309]
    “...Matched molecular pairs (MMPs) are widely used in medicinal chemistry to study changes in compound...”
    Get full text
    Article
  4. 4
    Matched molecular pair-based data sets for computer-aided medicinal chemistry [v1; ref status: indexed, http://f1000r.es/2w9]
    “...Matched molecular pairs (MMPs) are widely used in medicinal chemistry to study changes in compound...”
    Get full text
    Article
  5. 5
    Compound data sets and software tools for chemoinformatics and medicinal chemistry applications: update and data transfer [v1; ref status: indexed, http://f1000r.es/32j]
    by Ye Hu, Jürgen Bajorath
    Published 2014-03-01
    “... and computational medicinal chemistry applications. These data sets and computational tools were provided...”
    Get full text
    Article
  6. 6
    Biological Activity Profiles of Multitarget Ligands from X-ray Structures
    by Christian Feldmann, Jürgen Bajorath
    Published 2020-02-01
    Subjects: “...medicinal chemistry...”
    Get full text
    Article
  7. 7
    Advancing the activity cliff concept, part II [v1; ref status: indexed, http://f1000r.es/34p]
    “... given target. For medicinal chemistry, activity cliffs are of high interest because structure-activity...”
    Get full text
    Article
  8. 8
    Computational method for the identification of third generation activity cliffs
    by Dagmar Stumpfe, Huabin Hu, Jürgen Bajorath
    Published 2020-01-01
    “...In medicinal chemistry and chemoinformatics, activity cliffs (ACs) are defined as pairs...”
    Get full text
    Article
  9. 9
    AnalogExplorer2 – Stereochemistry sensitive graphical analysis of large analog series [version 1; referees: 2 approved]
    by Ye Hu, Bijun Zhang, Martin Vogt, Jürgen Bajorath
    Published 2015-10-01
    Get full text
    Article
  10. 10
    Towards a systematic assessment of assay interference: Identification of extensively tested compounds with high assay promiscuity [version 1; referees: 2 approved]
    by Erik Gilberg, Dagmar Stumpfe, Jürgen Bajorath
    Published 2017-08-01
    “... medicinal chemistry perspective....”
    Get full text
    Article
  11. 11
    Towards a systematic assessment of assay interference: Identification of extensively tested compounds with high assay promiscuity [version 2; referees: 3 approved]
    by Erik Gilberg, Dagmar Stumpfe, Jürgen Bajorath
    Published 2017-10-01
    “... medicinal chemistry perspective....”
    Get full text
    Article
  12. 12
    Advancing the activity cliff concept [v1; ref status: indexed, http://f1000r.es/1wf]
    by Ye Hu, Dagmar Stumpfe, Jürgen Bajorath
    Published 2013-09-01
    “...The activity cliff concept has experienced increasing interest in medicinal chemistry...”
    Get full text
    Article
  13. 13
    Data set of competitive and allosteric protein kinase inhibitors confirmed by X-ray crystallography
    Get full text
    Article
  14. 14
    EXPLORING COMPOUND PROMISCUITY PATTERNS AND MULTI-TARGET ACTIVITY SPACES
    by Ye Hu, Disha Gupta-Ostermann, Jürgen Bajorath
    Published 2014-01-01
    Get full text
    Article
  15. 15
    Comprehensive knowledge base of two- and three-dimensional activity cliffs for medicinal and computational chemistry [v1; ref status: indexed, http://f1000r.es/5ir]
    Get full text
    Article
  16. 16
    Activity-relevant similarity values for fingerprints and implications for similarity searching [version 1; referees: 3 approved]
    by Swarit Jasial, Ye Hu, Martin Vogt, Jürgen Bajorath
    Published 2016-04-01
    Get full text
    Article
  17. 17
    Activity-relevant similarity values for fingerprints and implications for similarity searching [version 2; referees: 3 approved]
    by Swarit Jasial, Ye Hu, Martin Vogt, Jürgen Bajorath
    Published 2016-04-01
    Get full text
    Article
  18. 18
    Identifying Promiscuous Compounds with Activity against Different Target Classes
    Get full text
    Article
  19. 19
    Analyzing compound activity records and promiscuity degrees in light of publication statistics [version 1; referees: 2 approved]
    by Ye Hu, Jürgen Bajorath
    Published 2016-06-01
    “... characteristic feature of the medicinal chemistry literature....”
    Get full text
    Article
  20. 20
    Kinase inhibitor data set for systematic analysis of representative kinases across the human kinome
    Get full text
    Article
Search Tools: Get RSS Feed — Email this Search