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. 2020 Mar 4;10:3986. doi: 10.1038/s41598-020-60747-3

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© The Author(s) 2020

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Structure based SOM on the 8,065 Tox21chemicals, colored by the percentage of active chemicals by cluster for autofluorescence assays in color channels: (A) blue, (B) green and (C) red. Example chemical structures for clusters enriched for activity are displayed; cluster 203: 23. 25614-03-3, 24. 131.01-1, 25. 100286-90-6; cluster 147: 26. 93-00-5, 27. 130-17-6, 28. 82956-11-4; cluster 129: 29. 1210-12-4, 30. 2693-46-1, 31. 3331-46-2; cluster 209: 32. 25316-40-9, 33. 50935-04-1, 34. 75443-99-1; cluster 173: 35. 17692-51-2, 36. 60-79-7, 37. 159701-44-7; cluster 117: 38. 6151-25-3, 39. 517-28-2, 40. 1470-79-7; cluster 209: 41. 25316-40-9, 42. 72496-41-4, 43. 56124-62-0; cluster 219: 44. 16423-68-0, 45. 115-39-9; cluster 143: 46. 514-73-8, 47. 905-97-5.