Showing 1 - 20 results of 202 for search '"Cheminformatics"', query time: 0.11s Refine Results
  1. 1
    Chemoinformatics approach to virtual screening /

    Chemoinformatics approach to virtual screening / by Varnek, Alexandre, Tropsha, Alex

    Published 2008
    Subjects: “…Cheminformatics…”
  2. 2
    An introduction to chemoinformatics /

    An introduction to chemoinformatics / by 397992 Leach, Andrew R., Gillet, Vincent J.

    Published 2003
    Subjects: “…Cheminformatics…”
  3. 3
    Handbook of chemoinformatics : from data to knowledge /

    Handbook of chemoinformatics : from data to knowledge / by Gasteiger, Johann

    Published 2003
    Subjects: “…Cheminformatics…”
  4. 4
    Chemoinformatics : a textbook /

    Chemoinformatics : a textbook / by Gasteiger, Johann, Engel, Thomas

    Published 2003
    Subjects: “…Cheminformatics…”
  5. 5
    Advanced methods and applications in chemoinformatics : research progress and new applications /

    Advanced methods and applications in chemoinformatics : research progress and new applications / by Castro, E. A. (Eduardo Alberto), 1944-, Haghi, A. K.

    Published c201
    Subjects: “…Cheminformatics…”
  6. 6
    Chemoinformatics : advanced control & computational techniques /

    Chemoinformatics : advanced control & computational techniques / by Gilani, Hossein G., Samper, Katia G., Haghi, Reza K.

    Published 2013
    Subjects: “…Cheminformatics…”
  7. 7
    Chemoinformatics : theory, practice, & products /

    Chemoinformatics : theory, practice, & products / by Bunin, Barry A.

    Published 2007
    Subjects: “…Cheminformatics…”
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  8. 8
    Novel reaction-based De Novo molecular design in 2D & 3D using deep Q-Learning

    Novel reaction-based De Novo molecular design in 2D & 3D using deep Q-Learning by Goto, A

    Published 2022
    Subjects: “…Cheminformatics…”
    Thesis
  9. 9
    Chemoinformatics in drug discovery /

    Chemoinformatics in drug discovery / by Oprea, Tudor I.

    Published 2005
    Subjects:
  10. 10
    Clustering for 2D chemical structures /

    Clustering for 2D chemical structures / by Chu, Chia-Wei, Department of Information Studies

    Published 2010
    Subjects: “…Cheminformatics…”
  11. 11
    Virtual Screening for Chemists /

    Virtual Screening for Chemists / by Saha, Ishika, author 652632, Harran, Patrick G., author 652633, ACS Publications (Online service) 645714

    Published 2021
    Subjects: “…Cheminformatics…”
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  12. 12
    Understanding small molecule conformations using statistical machine learning

    Understanding small molecule conformations using statistical machine learning by Chan, LS

    Published 2020
    Subjects:
    Thesis
  13. 13
    Molecular descriptors for chemoinformatics /

    Molecular descriptors for chemoinformatics / by 500264 Roberto Todeschini, Consonni, Viviana

    Published 2009
    Subjects:
  14. 14
    Handbook of chemoinformatics algorithms /

    Handbook of chemoinformatics algorithms / by Faulon, Jean-Loup, Bender, Andreas, 1976-

    Published c201
    Subjects: “…Cheminformatics…”
  15. 15
    Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs

    Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs by Federico Gago

    Published 2023-01-01
    Subjects:
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    Article
  16. 16
    On the information content of 2D and 3D descriptors for QSAR

    On the information content of 2D and 3D descriptors for QSAR by Oprea Tudor I.

    Published 2002-01-01
    Subjects:
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    Article
  17. 17
    Crossing the Boundaries within Computational Chemistry: From Molecular Dynamics to Cheminformatics and back

    Crossing the Boundaries within Computational Chemistry: From Molecular Dynamics to Cheminformatics and back by Sereina Riniker

    Published 2014-09-01
    Subjects: “…Cheminformatics…”
    Get full text
    Article
  18. 18
    PepFun: Open Source Protocols for Peptide-Related Computational Analysis

    PepFun: Open Source Protocols for Peptide-Related Computational Analysis by Rodrigo Ochoa, Pilar Cossio

    Published 2021-03-01
    Subjects:
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    Article
  19. 19
    Prompt engineering of GPT-4 for chemical research: what can/cannot be done?

    Prompt engineering of GPT-4 for chemical research: what can/cannot be done? by Kan Hatakeyama-Sato, Naoki Yamane, Yasuhiko Igarashi, Yuta Nabae, Teruaki Hayakawa

    Published 2023-12-01
    Subjects:
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    Article
  20. 20
    Fragment reweighting in ligand-based virtual screening /

    Fragment reweighting in ligand-based virtual screening / by Ali Ahmed Alfakiabdalla Abdelrahim, 1974-, author, Naomie Salim, supervisor, Fakulti Kejuruteraan. Sekolah Komputeran

    Published 2013
    Subjects: “…Cheminformatics…”

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