Artificial Intelligence in Medicine Discovery:AI in Virtual Screening

Manish Nath Choudhary; James Connolly

doi:10.1109/ISSC52156.2021.9467865

Artificial Intelligence in Medicine Discovery:AI in Virtual Screening

Manish Nath Choudhary
, James Connolly

Atlantic Technological University

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

4 Citations (Scopus)

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 language	English
Title of host publication	2021 32nd Irish Signals and Systems Conference, ISSC 2021
Publisher	IEEE
ISBN (Electronic)	9781665434294
DOIs	https://doi.org/10.1109/ISSC52156.2021.9467865
Publication status	Published - 10 Jun 2021
Event	32nd Irish Signals and Systems Conference, ISSC 2021 - Athlone, Ireland Duration: 10 Jun 2021 → 11 Jun 2021

Publication series

Name	2021 32nd Irish Signals and Systems Conference, ISSC 2021

Conference

Conference	32nd Irish Signals and Systems Conference, ISSC 2021
Country/Territory	Ireland
City	Athlone
Period	10/06/21 → 11/06/21

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 3 Good Health and Well-being

Keywords

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

Access to Document

10.1109/ISSC52156.2021.9467865

Cite this

@inproceedings{0147d4451bd74f848ee317ddcbf2a5b9,

title = "Artificial Intelligence in Medicine Discovery:AI in Virtual Screening",

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.",

keywords = "Artificial Intelligence, Deep Learning, Ligand - drug, Machine learning, Virtual screening, molecular weight",

author = "Choudhary, \{Manish Nath\} and James Connolly",

note = "Publisher Copyright: {\textcopyright} 2021 IEEE.; 32nd Irish Signals and Systems Conference, ISSC 2021 ; Conference date: 10-06-2021 Through 11-06-2021",

year = "2021",

month = jun,

day = "10",

doi = "10.1109/ISSC52156.2021.9467865",

language = "English",

series = "2021 32nd Irish Signals and Systems Conference, ISSC 2021",

publisher = "IEEE",

booktitle = "2021 32nd Irish Signals and Systems Conference, ISSC 2021",

}

Choudhary, MN & Connolly, J 2021, Artificial Intelligence in Medicine Discovery:AI in Virtual Screening. in 2021 32nd Irish Signals and Systems Conference, ISSC 2021., 9467865, 2021 32nd Irish Signals and Systems Conference, ISSC 2021, IEEE, 32nd Irish Signals and Systems Conference, ISSC 2021, Athlone, Ireland, 10/06/21. https://doi.org/10.1109/ISSC52156.2021.9467865

TY - GEN

T1 - Artificial Intelligence in Medicine Discovery:AI in Virtual Screening

AU - Choudhary, Manish Nath

AU - Connolly, James

PY - 2021/6/10

Y1 - 2021/6/10

N2 - 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.

AB - 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.

KW - Artificial Intelligence

KW - Deep Learning

KW - Ligand - drug

KW - Machine learning

KW - Virtual screening

KW - molecular weight

UR - https://www.scopus.com/pages/publications/85114444117

U2 - 10.1109/ISSC52156.2021.9467865

DO - 10.1109/ISSC52156.2021.9467865

M3 - Conference contribution

AN - SCOPUS:85114444117

T3 - 2021 32nd Irish Signals and Systems Conference, ISSC 2021

BT - 2021 32nd Irish Signals and Systems Conference, ISSC 2021

PB - IEEE

T2 - 32nd Irish Signals and Systems Conference, ISSC 2021

Y2 - 10 June 2021 through 11 June 2021

ER -

Artificial Intelligence in Medicine Discovery:AI in Virtual Screening

Abstract

Publication series

Conference

UN SDGs

Keywords

Access to Document

Other files and links

Fingerprint

Cite this