Artificial intelligence in drug discovery and development

doi:10.1016/j.drudis.2020.10.010

Review

. 2021 Jan;26(1):80-93.

doi: 10.1016/j.drudis.2020.10.010. Epub 2020 Oct 21.

Artificial intelligence in drug discovery and development

Debleena Paul¹, Gaurav Sanap¹, Snehal Shenoy¹, Dnyaneshwar Kalyane¹, Kiran Kalia¹, Rakesh K Tekade²

Affiliations

¹ National Institute of Pharmaceutical Education and Research-Ahmedabad (NIPER-A), An Institute of National Importance, Government of India, Department of Pharmaceuticals, Ministry of Chemicals and Fertilizers, Palaj, Opp. Air Force Station, Gandhinagar, 382355, Gujarat, India.
² National Institute of Pharmaceutical Education and Research-Ahmedabad (NIPER-A), An Institute of National Importance, Government of India, Department of Pharmaceuticals, Ministry of Chemicals and Fertilizers, Palaj, Opp. Air Force Station, Gandhinagar, 382355, Gujarat, India. Electronic address: rakeshtekade@gmail.com.

PMID: 33099022
PMCID: PMC7577280
DOI: 10.1016/j.drudis.2020.10.010

Free PMC article

Review

Artificial intelligence in drug discovery and development

Debleena Paul et al. Drug Discov Today. 2021 Jan.

Free PMC article

. 2021 Jan;26(1):80-93.

doi: 10.1016/j.drudis.2020.10.010. Epub 2020 Oct 21.

Authors

Debleena Paul¹, Gaurav Sanap¹, Snehal Shenoy¹, Dnyaneshwar Kalyane¹, Kiran Kalia¹, Rakesh K Tekade²

Affiliations

¹ National Institute of Pharmaceutical Education and Research-Ahmedabad (NIPER-A), An Institute of National Importance, Government of India, Department of Pharmaceuticals, Ministry of Chemicals and Fertilizers, Palaj, Opp. Air Force Station, Gandhinagar, 382355, Gujarat, India.
² National Institute of Pharmaceutical Education and Research-Ahmedabad (NIPER-A), An Institute of National Importance, Government of India, Department of Pharmaceuticals, Ministry of Chemicals and Fertilizers, Palaj, Opp. Air Force Station, Gandhinagar, 382355, Gujarat, India. Electronic address: rakeshtekade@gmail.com.

PMID: 33099022
PMCID: PMC7577280
DOI: 10.1016/j.drudis.2020.10.010

Abstract

Artificial intelligence-integrated drug discovery and development has accelerated the growth of the pharmaceutical sector, leading to a revolutionary change in the pharma industry. Here, we discuss areas of integration, tools, and techniques utilized in enforcing AI, ongoing challenges, and ways to overcome them.

Figures

**Figure 2**
Applications of artificial intelligence (AI) in different subfields of the pharmaceutical industry, from drug discovery to pharmaceutical product management.

**Figure 3**
Role of artificial intelligence (AI) in drug discovery. AI can be used effectively in different parts of drug discovery, including drug design, chemical synthesis, drug screening, polypharmacology, and drug repurposing.

**Figure 4**
Leading pharmaceutical companies and their association with Artificial Intelligence (AI) organizations that are working in fields including oncology, cardiovascular diseases, and central nervous system disorders.

See this image and copyright information in PMC

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References

1. Ramesh A. Artificial intelligence in medicine. Ann. R. Coll. Surg. Engl. 2004;86:334–338. - PMC - PubMed
1. Miles J., Walker A. The potential application of artificial intelligence in transport. IEE Proc.-Intell. Transport Syst. 2006;153:183–198.
1. Yang Y., Siau K. MWAIS; 2018. A Qualitative Research on Marketing and Sales in the Artificial Intelligence Age.
1. Wirtz B.W. Artificial intelligence and the public sector—applications and challenges. Int. J. Public Adm. 2019;42:596–615.
1. Smith R.G., Farquhar A. The road ahead for knowledge management: an AI perspective. AI Mag. 2000;21 17–17.

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[1] Ramesh A. Artificial intelligence in medicine. Ann. R. Coll. Surg. Engl. 2004;86:334–338. - PMC - PubMed

[2] Ramesh A. Artificial intelligence in medicine. Ann. R. Coll. Surg. Engl. 2004;86:334–338. - PMC - PubMed

[3] Miles J., Walker A. The potential application of artificial intelligence in transport. IEE Proc.-Intell. Transport Syst. 2006;153:183–198.

[4] Miles J., Walker A. The potential application of artificial intelligence in transport. IEE Proc.-Intell. Transport Syst. 2006;153:183–198.

[5] Yang Y., Siau K. MWAIS; 2018. A Qualitative Research on Marketing and Sales in the Artificial Intelligence Age.

[6] Yang Y., Siau K. MWAIS; 2018. A Qualitative Research on Marketing and Sales in the Artificial Intelligence Age.

[7] Wirtz B.W. Artificial intelligence and the public sector—applications and challenges. Int. J. Public Adm. 2019;42:596–615.

[8] Wirtz B.W. Artificial intelligence and the public sector—applications and challenges. Int. J. Public Adm. 2019;42:596–615.

[9] Smith R.G., Farquhar A. The road ahead for knowledge management: an AI perspective. AI Mag. 2000;21 17–17.

[10] Smith R.G., Farquhar A. The road ahead for knowledge management: an AI perspective. AI Mag. 2000;21 17–17.

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Artificial intelligence in drug discovery and development

Affiliations

Artificial intelligence in drug discovery and development

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Abstract

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Cited by 21 articles

References

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