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Publication Type : Conference Paper
Publisher : IEEE
Source : 2024 15th International Conference on Computing Communication and Networking Technologies (ICCCNT)
Url : https://doi.org/10.1109/icccnt61001.2024.10724127
Campus : Amritapuri
School : School of Computing
Year : 2024
Abstract : Drug discovery, traditionally reliant on extensive experimental work and significant financial investments, often faces high failure rates and prolonged timelines. Recent advancements in computational methods and machine learning techniques aim to streamline this process. This study introduces VISMAI, a tool designed for virtual screening with modules for descriptor calculation, fingerprint generation, and drug-likeness prediction. Using SMILES strings and a GCNN-based model, VISMAI accurately assesses drug-likeness.
Cite this Research Publication : Deepak Menon, Achyut M Sharma, R Ani, Computational Approaches for Drug Discovery: A Review of Artificial Intelligence Techniques for ADME/T Prediction and Virtual Screening, 2024 15th International Conference on Computing Communication and Networking Technologies (ICCCNT), IEEE, 2024, https://doi.org/10.1109/icccnt61001.2024.10724127