Between 2018 and 2022, over 2,600 publications were released about the usage of AI in small molecule design and optimization. More than 40 percent of those publications were focused on virtual screening and binding analysis. This statistic shows the percentage of publications on AI used for small molecule design and optimization released worldwide in 2018-2022, by sub-use case.
Percentage of publications on AI used for small molecule design and optimization released worldwide in 2018-2022, by sub-use case
Characteristic
Share of publications
Virtual screening and binding analysis
43%
Structure activity relationship prediction
29%
ADME prediction
17%
de novo ligand generation
9%
Ligand synthesisability
2%
0%10%20%30%40%50%
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Wellcome Trust, & BCG. (June 19, 2023). Percentage of publications on AI used for small molecule design and optimization released worldwide in 2018-2022, by sub-use case [Graph]. In Statista. Retrieved April 24, 2025, from https://www.statista.com/statistics/1428383/publications-on-ai-used-for-small-molecule-design-and-optimization-worldwide/
Wellcome Trust, und BCG. "Percentage of publications on AI used for small molecule design and optimization released worldwide in 2018-2022, by sub-use case." Chart. June 19, 2023. Statista. Accessed April 24, 2025. https://www.statista.com/statistics/1428383/publications-on-ai-used-for-small-molecule-design-and-optimization-worldwide/
Wellcome Trust, BCG. (2023). Percentage of publications on AI used for small molecule design and optimization released worldwide in 2018-2022, by sub-use case. Statista. Statista Inc.. Accessed: April 24, 2025. https://www.statista.com/statistics/1428383/publications-on-ai-used-for-small-molecule-design-and-optimization-worldwide/
Wellcome Trust, and BCG. "Percentage of Publications on Ai Used for Small Molecule Design and Optimization Released Worldwide in 2018-2022, by Sub-use Case." Statista, Statista Inc., 19 Jun 2023, https://www.statista.com/statistics/1428383/publications-on-ai-used-for-small-molecule-design-and-optimization-worldwide/
Wellcome Trust & BCG, Percentage of publications on AI used for small molecule design and optimization released worldwide in 2018-2022, by sub-use case Statista, https://www.statista.com/statistics/1428383/publications-on-ai-used-for-small-molecule-design-and-optimization-worldwide/ (last visited April 24, 2025)
Percentage of publications on AI used for small molecule design and optimization released worldwide in 2018-2022, by sub-use case [Graph], Wellcome Trust, & BCG, June 19, 2023. [Online]. Available: https://www.statista.com/statistics/1428383/publications-on-ai-used-for-small-molecule-design-and-optimization-worldwide/
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