Elucidating molecular mechanism and chemical space of chalcones through biological networks and machine learning approaches

Elucidating molecular mechanism and chemical space of chalcones through biological networks and machine learning approaches

We developed a bio-cheminformatics method, exploring disease inhibition mechanisms using machine learning-enhanced quantitative structure-activity relationship (ML-QSAR) models and knowledge-driven neural networks. ML-QSAR models were developed using molecular fingerprint descriptors and the Random...

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Bibliographic Details
Main Authors: Ajay Manaithiya, Ratul Bhowmik, Satarupa Acharjee, Sameer Sharma, Sunil Kumar, Mohd. Imran, Bijo Mathew, Seppo Parkkila, Ashok Aspatwar
Format: Article
Language:English
Published: Elsevier 2024-12-01
Series:Computational and Structural Biotechnology Journal
Subjects:
Chalcone
Gene (AKT, SRC, HSP90AA1, and STAT3)
Systems biology
Ml-QSAR
Molecular docking
Dynamics
Online Access:http://www.sciencedirect.com/science/article/pii/S200103702400240X

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http://www.sciencedirect.com/science/article/pii/S200103702400240X

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