Citation Ty** Ontology (CiTO) Pilot

In this topical collection (16 articles)

1. Educational

   A ligand-based computational drug repurposing pipeline using KNIME and Programmatic Data Access: case studies for rare diseases and COVID-19

   Alzbeta Tuerkova, Barbara Zdrazil Article:71

   Download PDF (5213KB) View Article

2. Research article

   Too sweet: cheminformatics for deglycosylation in natural products

   Jonas Schaub, Achim Zielesny, Christoph Steinbeck… Article:67

   Download PDF (4231KB) View Article

3. Methodology

   Predicting target profiles with confidence as a service using docking scores

   Laeeq Ahmed, Hiba Alogheli, Staffan Arvidsson McShane… Article:62

   Download PDF (2395KB) View Article

4. Research article

   DECIMER 1.0: deep learning for chemical image recognition using transformers

   Kohulan Rajan, Achim Zielesny, Christoph Steinbeck Article:61

   Download PDF (2372KB) View Article

5. Research article

   European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials

   Jeaphianne van Rijn, Antreas Afantitis, Mustafa Culha… Article:57

   Download PDF (1545KB) View Article

6. Letter to the Editor

   FAIR chemical structures in the Journal of Cheminformatics

   Emma L. Schymanski, Evan E. Bolton Article:50

   Download PDF (1171KB) View Article

7. Letter Response

   Reply to “FAIR chemical structure in the Journal of Cheminformatics”

   Rajarshi Guha, Nina Jeliazkova, Egon Willighagen… Article:49

   Download PDF (507KB) View Article

8. Editorial

   Adoption of the Citation Ty** Ontology by the Journal of Cheminformatics

   Egon Willighagen Article:47

   Download PDF (1005KB) View Article

9. Software

   IDSM ChemWebRDF: SPARQLing small-molecule datasets

   Jakub Galgonek, Jiří Vondrášek Article:38

   Download PDF (2970KB) View Article

10. Editorial

    Diversifying cheminformatics

    Barbara Zdrazil, Rajarshi Guha Article:25

    Download PDF (860KB) View Article

11. Research article

    Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag

    Emma L. Schymanski, Todor Kondić, Steffen Neumann… Article:19

    Download PDF (3191KB) View Article

12. Editorial

    What is the role of cheminformatics in a pandemic?

    Rajarshi Guha, Egon Willighagen, Barbara Zdrazil… Article:16

    Download PDF (674KB) View Article

13. Editorial

    A look back at a pilot of the citation ty** ontology

    Rajarshi Guha, Barbara Zdrazil, Nina Jeliazkova… Article:15

    Download PDF (555KB) View Article

14. Correspondence

    Two years of explicit CiTO annotations

    Egon Willighagen Article:14

    Download PDF (1409KB) View Article

15. Database

    PSnpBind: a database of mutated binding site protein–ligand complexes constructed using a multithreaded virtual screening workflow

    Ammar Ammar, Rachel Cavill, Chris Evelo, Egon Willighagen Article:8

    Download PDF (3187KB) View Article

16. Database

    COCONUT online: Collection of Open Natural Products database

    Maria Sorokina, Peter Merseburger, Kohulan Rajan… Article:2

    Download PDF (1575KB) View Article