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Large scale study of multiple-molecule queries

• Authors : Nasr, Ramzi J; Swamidass, S Joshua; Baldi, Pierre F

• Source: Journal of Cheminformatics. 1(1)

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Consensus queries in ligand-based virtual screening experiments

• Authors : Francois Berenger; Oanh Vu; Jens Meiler

Subjects: Similarity search; Several bioactives; Consensus query

• Source: Journal of Cheminformatics, Vol 9, Iss 1, Pp 1-13 (2017)

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Large scale study of multiple-molecule queries

• Authors : Ramzi Nasr; Pierre Baldi; S. Joshua Swamidass

Subjects: Future studies; Computer science; Library and Information Sciences

• Source: Journal of Cheminformatics, Vol 1, Iss 1, p 7 (2009)Nasr, Ramzi J; Swamidass, S Joshua; & Baldi, Pierre F. (2009). Large scale study of multiple-molecule

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Consensus queries in ligand-based virtual screening experiments.

• Authors : Berenger, Francois; Vu, Oanh; Meiler, Jens

Subjects: LIGANDS (Chemistry); BINDING sites; PROTEINS

• Source: Journal of Cheminformatics; 11/28/2017, Vol. 9 Issue 1, p1-13, 13p

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A comparison of approaches to accessing existing biological and chemical relational databases via SPARQL.

• Authors : Galgonek, Jakub¹ (AUTHOR) ; Vondrášek, Jiří¹ (AUTHOR)

• Source: Journal of Cheminformatics. 6/20/2023, Vol. 15 Issue 1, p1-14. 14p.

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Application of machine reading comprehension techniques for named entity recognition in materials science.

• Authors : Huang, Zihui¹ (AUTHOR); He, Liqiang¹ (AUTHOR); Yang, Yuhang¹ (AUTHOR)

• Source: Journal of Cheminformatics. 7/2/2024, Vol. 16 Issue 1, p1-10. 10p.

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IDSM ChemWebRDF: SPARQLing small-molecule datasets.

• Authors : Galgonek, Jakub¹ (AUTHOR) ; Vondrášek, Jiří¹ (AUTHOR)

• Source: Journal of Cheminformatics. 5/12/2021, Vol. 13 Issue 1, p1-19. 19p.

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Human-in-the-loop assisted de novo molecular design.

• Authors : Sundin, Iiris¹ (AUTHOR) ; Voronov, Alexey² (AUTHOR) ; Xiao, Haoping¹ (AUTHOR)

• Source: Journal of Cheminformatics. 12/28/2022, Vol. 14 Issue 1, p1-16. 16p.

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Chemical reaction network knowledge graphs: the OntoRXN ontology.

• Authors : Garay-Ruiz, Diego^1,2 (AUTHOR); Bo, Carles^1,2 (AUTHOR)

• Source: Journal of Cheminformatics. 5/30/2022, Vol. 14 Issue 1, p1-12. 12p.

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S2RSLDB: a comprehensive manually curated, internet-accessible database of the sigma-2 receptor selective ligands.

• Authors : Nastasi, Giovanni¹ ; Miceli, Carla¹ ; Pittalà, Valeria¹

• Source: Journal of Cheminformatics. 1/21/2017, Vol. 9 Issue 1, p1-9. 9p.

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