To access all the data derived from the construction and validation of the ML models for the 85 key targets selected in this study, see the "Validation of models" section of platform. The targets in the web-based tool are categorized into four families: G-Protein Coupled Receptors, Ion Channels, Kinases, and a Miscellaneous group, according to the Illuminating the Druggable Genome (IDG) initiative. To evaluate the efficacy of AlzyFinder's classification capabilities, we selected five molecules with biological activity against key targets in Alzheimer's disease (Figure ). These molecules were published in late 2023 or 2024 and were not included in the original set of molecules to build any ML models. To perform virtual screening, AlzyFinder platform allows users to submit the molecules of interest in three different forms: i) by uploading a file containing the SMILES of each molecule (up to 100 molecules), ii) pasting the SMILES into the provided text box (up to 10 molecules), iii) or sketching the molecular structure directly on the platform (Figure ). To virtually screen the five know molecules (Figure ) and predict the probability of being active against ACHE, GSK3A, BACE1, HTR1A, and HCRTR2, it was necessary to obtain the SMILES representation for each molecule and introduce them into the test box on the AlzyFinder platform (Figure ). The platform offers a diverse array of targets associated with Alzheimer's disease, classified according to the IDG. After entering the molecules of interest, the user must select the targets to perform the virtual screening. The platform allows the user to select targets one by one, all targets that are part of the same group (e.g., all kinases), or all 85 targets if desired (Figure ). Furthermore, the platform enables users to adjust a threshold probability (ranging from 0.01 to 1.0). This probability threshold allows filtered results to be generated. The platform will only present compounds whose probability of activity against the selected targets is equal to or greater than the threshold set. According to the results, a compound with probability greater than 0.5 is considered as a "hit" or "active". However, using the probability threshold to select compounds with higher probability is highly recommended. This way, compounds with a better chance of being active in biological assays will be selected. Furthermore, users have the option of entering their email address to receive notifications upon the completion of virtual screening, and to access information stored on the server, which is retained for a period of 60 days. AD key targets and their classification according to the IDG . At the bottom the probability threshold (from 0.01 to 1) could be set by the user. In this case the default value is set (0.7). In this case, we ACHE, GSK3A, BACE1, HTR1A, and HCRTR2 according to Figure . All proteins are linked to the UniProt database so that users can access all the information they need about each AD target.