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Drug discovery & development. [electronic resource].

Subjects: Pharmaceutical industry -- Periodicals; Pharmaceutical technology -- Periodicals; Pharmaceutical industry

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Registries in Machine Learning-Based Drug Discovery: A Shortcut to Code Reuse

• Authors : Hartog, Peter B.R.; Svensson, Emma; Mervin, Lewis H.

Subjects: design pattern; modularity; machine learning

• Source: 1st International Workshop on AI in Drug Discovery, AIDD 2024, held as a part of the 33rd International Conference on Artificial Neural

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Fifteen years of ChEMBL and its role in cheminformatics and drug discovery.

• Authors : Zdrazil, Barbara¹ (AUTHOR)

• Source: Journal of Cheminformatics. 3/10/2025, Vol. 17 Issue 1, p1-9. 9p.

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Achieving well-informed decision-making in drug discovery: a comprehensive calibration study using neural network-based structure-activity models.

• Authors : Friesacher, Hannah Rosa^1,2 (AUTHOR) ; Engkvist, Ola^2,3 (AUTHOR) ; Mervin, Lewis⁴ (AUTHOR)

• Source: Journal of Cheminformatics. 3/5/2025, Vol. 17 Issue 1, p1-24. 24p.

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Phenotypic Drug Discovery

• Authors : Beverley Isherwood; Angelique Augustin

Subjects: Drug developmentMEDICAL / Pharmacology; SCIENCE / Biotechnology; SCIENCE / Chemistry / Organic

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A best practices framework for spatial biology studies in drug discovery and development: enabling successful cohort studies using digital spatial profiling.

• Authors : Krull, David¹ (AUTHOR); Haynes, Premi² (AUTHOR); Kesarwani, Anil¹ (AUTHOR)

• Source: Journal of Histotechnology. Mar2025, Vol. 48 Issue 1, p7-26. 20p.

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Perspectives on Applications of 19 F-NMR in Fragment-Based Drug Discovery.

• Authors : Li, Qingxin¹ (AUTHOR) ; Kang, CongBao² (AUTHOR)

Subjects: *DRUG discovery; *DRUG design; *BIOLOGICAL systems

• Source: Molecules. Dec2024, Vol. 29 Issue 23, p5748. 16p.

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Drug Discovery in the Age of Artificial Intelligence: Transformative Target-Based Approaches.

• Authors : Patne, Akshata Yashwant^1,2 (AUTHOR) ; Dhulipala, Sai Madhav³ (AUTHOR) ; Lawless, William^3,4 (AUTHOR)

Subjects: *GRAPH neural networks; *NATURAL language processing; *GENERATIVE adversarial networks

• Source: International Journal of Molecular Sciences. Nov2024, Vol. 25 Issue 22, p12233. 16p.

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Deep learning pipeline for accelerating virtual screening in drug discovery.

• Authors : Noor, Fatima^1,2 (AUTHOR); Junaid, Muhammad³ (AUTHOR); Almalki, Atiah H.^4,5 (AUTHOR)

• Source: Scientific Reports. 11/16/2024, Vol. 14 Issue 1, p1-13. 13p.

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A COMPARISON STUDY OF ARTIFICIAL INTELLIGENCE-DRIVEN NO-CODE APPLICATIONS FOR DRUG DISCOVERY AND DEVELOPMENT.

• Authors : Nizhenkovska, Iryna¹; Reva, Tetyana²; Kuznetsova, Olena³

• Source: ScienceRise: Pharmaceutical Science. 2024, Vol. 52 Issue 6, p80-89. 10p.

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