دورية أكاديمية
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SerotoninAI: Serotonergic System Focused, Artificial Intelligence-Based Application for Drug Discovery.

التفاصيل البيبلوغرافية
العنوان: SerotoninAI: Serotonergic System Focused, Artificial Intelligence-Based Application for Drug Discovery.
المؤلفون: Łapińska N; Department of Pharmaceutical Technology and Biopharmaceutics, Jagiellonian University Medical College, 30-688 Kraków, Poland.; Doctoral School of Medicinal and Health Sciences, Jagiellonian University Medical College, 30-688 Kraków, Poland., Pacławski A; Department of Pharmaceutical Technology and Biopharmaceutics, Jagiellonian University Medical College, 30-688 Kraków, Poland., Szlęk J; Department of Pharmaceutical Technology and Biopharmaceutics, Jagiellonian University Medical College, 30-688 Kraków, Poland., Mendyk A; Department of Pharmaceutical Technology and Biopharmaceutics, Jagiellonian University Medical College, 30-688 Kraków, Poland.
المصدر: Journal of chemical information and modeling [J Chem Inf Model] 2024 Apr 08; Vol. 64 (7), pp. 2150-2157. Date of Electronic Publication: 2024 Jan 30.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
أسماء مطبوعة: Original Publication: Washington, D.C. : American Chemical Society, c2005-
مواضيع طبية MeSH: Artificial Intelligence* , Software*, Humans ; Web Browser ; Drug Discovery ; Internet
مستخلص: SerotoninAI is an innovative web application for scientific purposes focused on the serotonergic system. By leveraging SerotoninAI, researchers can assess the affinity (pKi value) of a molecule to all main serotonin receptors and serotonin transporters based on molecule structure introduced as SMILES. Additionally, the application provides essential insights into critical attributes of potential drugs such as blood-brain barrier penetration and human intestinal absorption. The complexity of the serotonergic system demands advanced tools for accurate predictions, which is a fundamental requirement in drug development. SerotoninAI addresses this need by providing an intuitive user interface that generates predictions of pKi values for the main serotonergic targets. The application is freely available on the Internet at https://serotoninai.streamlit.app/, implemented in Streamlit with all major web browsers supported. Currently, to the best of our knowledge, there is no tool that allows users to access affinity predictions for serotonergic targets without registration or financial obligations. SerotoninAI significantly increases the scope of drug development activities worldwide. The source code of the application is available at https://github.com/nczub/SerotoninAI_streamlit.
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تواريخ الأحداث: Date Created: 20240130 Date Completed: 20240409 Latest Revision: 20240425
رمز التحديث: 20240425
مُعرف محوري في PubMed: PMC11005036
DOI: 10.1021/acs.jcim.3c01517
PMID: 38289046
قاعدة البيانات: MEDLINE
الوصف
تدمد:1549-960X
DOI:10.1021/acs.jcim.3c01517