These datasets include: blood‐brain barrier penetration (BBBP); β‐secretase (BACE, a key target for Alzheimer's disease); human immunodeficiency virus (HIV); side effect resource (SIDER); molecular toxicity (Tox21) and clinical trial toxicity (ClinTox) for toxicology studies; solubility: Free solvation (FreeSolv) and estimated solubility (ESOL) and lipophilicity. This evidence concerns the gene BACE1 and early-onset autosomal dominant Alzheimer disease.