Artificial Intelligence in Medicine Discovery:AI in Virtual Screening

Manish Nath Choudhary, James Connolly

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

The world is transforming using Artificial Intelligence. Pharmaceutical companies are currently using traditional medicine discovery, which is a lengthy and costly process, and most discovered drugs cannot obtain relevant regulatory approval for patient use due to their unsuitability. A Virtual screening (VS) approach is a new method to improve the research and development lifecycle. The VS process reduces the initial level of research required to discover potential drug components for a disease. Deep Learning (DL) algorithms play a vital role with VS. DL can understand the patterns within an existing dataset. The drug discovery process applies algorithms to understand the pattern of different chemical compounds with diseases. Now drug discovery is evolving using the capabilities of AI. Deepchem is one of the leading platforms that enable the construction of AI models for different diseases to identify potential drug components. This research paper discusses the Tyrosine-protein kinase cancer disease. In this research, the VS process is used to identify possible drug components of this disease.

Original languageEnglish
Title of host publication2021 32nd Irish Signals and Systems Conference, ISSC 2021
PublisherInstitute of Electrical and Electronics Engineers Inc.
ISBN (Electronic)9781665434294
DOIs
Publication statusPublished - 10 Jun 2021
Event32nd Irish Signals and Systems Conference, ISSC 2021 - Athlone, Ireland
Duration: 10 Jun 202111 Jun 2021

Publication series

Name2021 32nd Irish Signals and Systems Conference, ISSC 2021

Conference

Conference32nd Irish Signals and Systems Conference, ISSC 2021
Country/TerritoryIreland
CityAthlone
Period10/06/2111/06/21

Keywords

  • Artificial Intelligence
  • Deep Learning
  • Ligand - drug
  • Machine learning
  • Virtual screening
  • molecular weight

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