首页|CAS Reports Findings in Machine Learning (In Silico Insights: QSAR Modeling of T BK1 Kinase Inhibitors for Enhanced Drug Discovery)
CAS Reports Findings in Machine Learning (In Silico Insights: QSAR Modeling of T BK1 Kinase Inhibitors for Enhanced Drug Discovery)
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By a News Reporter-Staff News Editor at Robotics & Machine Learning Daily News Daily News-New research on Machine Learning is th e subject of a report. According to news reporting originating from Columbus, Oh io, by NewsRx correspondents, research stated, "TBK1, or TANKbinding kinase 1, is an enzyme that functions as a serine/threonine protein kinase. It plays a cru cial role in various cellular processes, including the innate immune response to viruses, cell proliferation, apoptosis, autophagy, and antitumor immunity." Our news editors obtained a quote from the research from CAS, "Dysregulation of TBK1 activity can lead to autoimmune diseases, neurodegenerative disorders, and cancer. Due to its central role in these critical pathways, TBK1 is a significan t focus of research for therapeutic drug development. In this paper, we explore data from the CAS Content Collection regarding TBK1 and its implication in a lar ge assortment of diseases and disorders. With the demand for developing efficien t TBK1 inhibitors being outlined, we focus on utilizing a machine learning appro ach for developing predictive models for TBK1 inhibition, derived from the fragm ent-functional analysis descriptors. Using the extensive CAS Content Collection, we assembled a training set of TBK1 inhibitors with experimentAlly measured IC5 0 values. We explored several machine learning techniques combined with various molecular descriptors to derive and select the best TBK1 inhibitor QSAR models. Certain significant structural alerts that potentiAlly contribute to inhibition of TBK1 are outlined and discussed."
ColumbusOhioUnited StatesNorth and Central AmericaCyborgsDrugs and TherapiesEmerging TechnologiesEnzymes a nd CoenzymesKinaseMachine Learning
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