The major bottleneck here is the lack of comprehensive and accurate data sets to train reliable models on. This is a challenge for experiments as well as computational modeling and should ideally be approached together in the future. One important step here is the publication of research data associated with computational (and if possible, also with experimental) studies. Data availability statements are standard nowadays in most scientific journals. However, the deposition of data in publicly available repositories (e.g., Zenodo, NOMAD) is not yet common practice in AS-ALD.