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@intconfchemstr.social.edu.nl.ap.brid.gySep 26, 2026, 6:43 AM

the 4th paper of the #iccs2025 collection was published this summer: "Transformers for molecular property prediction: domain adaptation efficiently improves performance" https://doi.org/10.1186/s13321-026-01252-z

#deepLearning #transformer #chembl #qspr […]

[Original post on social.edu.nl]

Figure 1: Data summary and distributions of the seven investigated ADME endpoints. The boxplots are shown per histogram to highlight the location of the different quartiles and datapoints that would be seen as outliers. The plots with two distributions show the presence of censored labels which are not suitable for being used directly in a regression model. Therefore, the two distributions show the original data (blue) and the actual data (orange) used during evaluation
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