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J Mol Biol 147:195\u2013197","journal-title":"J Mol Biol"}],"container-title":["Journal of Cheminformatics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/article\/10.1186\/s13321-026-01155-z","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1186\/s13321-026-01155-z.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1186\/s13321-026-01155-z.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,2,19]],"date-time":"2026-02-19T22:05:01Z","timestamp":1771538701000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1186\/s13321-026-01155-z"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,1,30]]},"references-count":59,"journal-issue":{"issue":"1","published-online":{"date-parts":[[2026,12]]}},"alternative-id":["1155"],"URL":"https:\/\/doi.org\/10.1186\/s13321-026-01155-z","relation":{},"ISSN":["1758-2946"],"issn-type":[{"value":"1758-2946","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,1,30]]},"assertion":[{"value":"4 June 2025","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"9 January 2026","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"30 January 2026","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"The use of human induced pluripotent stem cells (iPSCs) was approved by the Ethics Committees of Kyoto University. All experiments were performed in accordance with approved guidelines. Drug screening using ALS motor neurons and evaluation with ChemGLaM. We conducted high-throughput compound screening using ALS patient iPSC derived motor neurons [\n                      \n                      ]. The libraries used in the compound screens were MicroSource US Drugs (MicroSource Discovery Systems), MicroSource International Drugs (MicroSource Discovery Systems), and kinase inhibitors from EMD and Selleck Chemicals. The data from previously published screening of existing and clinically tested drugs (n\u2009=\u20091416) [\n                      \n                      ], of which 1395 compounds passed SMILES standardization using the same method as ChEMBL, were evaluated using ChemGLaM. Additional 212 compounds that were not in the developmental stage at the time were screened using the same experimental protocol as the previous study [\n                      \n                      ]. These compounds were evaluated experimentally, and the results were compared with the ChemGLaM predictions.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Ethical approval and consent to participate"}},{"value":"The authors declare the following competing financial interests: This research was conducted as part of a collaborative research effort with Fujitsu Limited. Fujitsu Ltd. provided funding and technical support for this study. The authors ensured that the research design, data analysis, and interpretation were unbiased and independent of each other.","order":3,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interests"}}],"article-number":"29"}}