Search Results

Searching chemical databases in the pre-history of cheminformatics.

• Authors : Willett, Peter¹ (AUTHOR)

• Source: Journal of Cheminformatics. 11/4/2024, Vol. 16 Issue 1, p1-3. 3p.

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MetFrag relaunched: incorporating strategies beyond in silico fragmentation.

• Authors : Ruttkies, Christoph¹ ; Schymanski, Emma L.²; Wolf, Sebastian^1,3

• Source: Journal of Cheminformatics. 1/29/2016, Vol. 8 Issue 1, p1-16. 16p.

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Efficient virtual high-content screening using a distance-aware transformer model.

• Authors : Sellner, Manuel S.¹ (AUTHOR); Mahmoud, Amr H.¹ (AUTHOR); Lill, Markus A.¹ (AUTHOR)

• Source: Journal of Cheminformatics. 2/8/2023, Vol. 15 Issue 1, p1-10. 10p.

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“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies.

• Authors : McEachran, Andrew D.^1,2 ; Mansouri, Kamel^1,2,3 ; Grulke, Chris²

• Source: Journal of Cheminformatics. 8/30/2018, Vol. 10 Issue 1, p1-1. 1p.

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Deep scaffold hopping with multimodal transformer neural networks.

• Authors : Zheng, Shuangjia; Lei, Zengrong; Ai, Haitao

Subjects: DRUG design; HOPPING conduction; NERVE tissue proteins

• Source: Journal of Cheminformatics; 11/13/2021, Vol. 13 Issue 1, p1-15, 15p

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International chemical identifier for chemical reactions.

• Authors : Grethe, Guenter¹ ; Goodman, Jonathan¹; Allen, Chad¹

• Source: Journal of Cheminformatics. 2013, Vol. 5 Issue S1, p1-1. 1p.

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Making SharePoint® Chemically Aware™.

• Authors : Tallapragada, Kartik; Chewning, Joseph; Kombo, David

Subjects: INFORMATION resources management software; DRUG development; COMPUTER software

• Source: Journal of Cheminformatics; 2012, Vol. 4 Issue 1, p1-7, 7p, 4 Color Photographs, 2 Charts

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Interoperable chemical structure search service.

• Authors : Kratochvíl, Miroslav; Vondrášek, Jiří; Galgonek, Jakub

Subjects: CHEMICAL structure; SERVICE-oriented architecture (Computer science); DRUG design

• Source: Journal of Cheminformatics; 6/28/2019, Vol. 11 Issue 1, pN.PAG-N.PAG, 1p

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Accelerating turbo similarity searching in chemoinformatics on multicore and GPU platforms.

• Authors : Marwah Haitham Al Laila¹ ; Nurul Malim¹; Nur'Aini Abdul Rashid¹

• Source: Journal of Cheminformatics. 2014, Vol. 6 Issue Suppl 1, p1-1. 1p.

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Efficient maximum common subgraph (MCS) searching of large chemical databases.

• Authors : Sayle, Roger A.; Batista, Jose; Grant, J. Andrew

Subjects: CHEMICALS; DATABASES; MOLECULES

• Source: Journal of Cheminformatics; 2013, Vol. 5 Issue S1, p1-1, 1p, 1 Diagram

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