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AI and quantum mechanics team up to accelerate drug discovery

ScienceDaily
Summary
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79% Informative

SmartCADD combines artificial intelligence, quantum mechanics and Computer Assisted Drug Design (CADD) techniques to speed up the screening of chemical compounds, significantly reducing drug discovery timelines.

The tool grew from an interdisciplinary collaboration between SMU 's department of chemistry in Dedman College of Humanities and Sciences and the computer science department in the Lyle School of Engineering .

Story Source: Journal Reference: - Ayesh Madushanka, Eli Laird , Corey Clark , Elfi Kraka . SmartCADD: AI-QM Empowered Drug Discovery Platform with Explainability. Journal of Chemical Information and Modeling , 2024 ; 64 ( 17): 6799 DOI: 10.1021 /acs.jcim.4c00720 Cite This Page:.

VR Score

89

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95

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50

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formal

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English

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66

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long-living

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