A review on intervention of AI in pharmaceutical sector: Revolutionizing drug discovery and manufacturing

Vijeth N. Bhat , Swati Bharati , Chellampillai Bothiraja , Jaiprakash Sangshetti , Vinod Gaikwad

Intelligent Pharmacy ›› 2025, Vol. 3 ›› Issue (5) : 342 -349.

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Intelligent Pharmacy ›› 2025, Vol. 3 ›› Issue (5) : 342 -349. DOI: 10.1016/j.ipha.2025.04.001
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A review on intervention of AI in pharmaceutical sector: Revolutionizing drug discovery and manufacturing

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Abstract

Artificial intelligence (AI) is designed to mimic human intelligence in machines. The growth of information technology and advancement in the computing power of computers provided a great platform for progress in many pharmaceutical industry and healthcare sectors. Leading to the consolidation of the pharmaceutical, and healthcare industries with AI companies. AI is used in various departments of the pharmaceutical sector such as drug discovery, development, target identification, manufacturing process, dosage design, clinical trial design, and many more. There are several challenges and limitations of AI that must be addressed by the pharmaceutical industry before its adoption and successful integration into various processes. The present article is focused on Artificial Neural Networks in the pharmaceutical sector, Drug design and discovery, drug repurposing, research and development, pharmaceutical product development, manufacturing process, quality assurance and quality controls, and some challenges and prospects of AI.

Keywords

Artificial intelligence / Artificial neural networks / Drug discovery / Pharmaceutical industry

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Vijeth N. Bhat, Swati Bharati, Chellampillai Bothiraja, Jaiprakash Sangshetti, Vinod Gaikwad. A review on intervention of AI in pharmaceutical sector: Revolutionizing drug discovery and manufacturing. Intelligent Pharmacy, 2025, 3(5): 342-349 DOI:10.1016/j.ipha.2025.04.001

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References

[1]

Swarup P . Artificial intelligence. Int J Comput Corporate Res. 2012; 2 (4): 1- 16.

[2]

Hessler G , Baringhaus KH . Artificial intelligence in drug design. Molecules. 2018; 23 (10): 2520.

[3]

Patel L , Shukla T , Huang X , Ussery DW , Wang S . Machine learning methods in drug discovery. Molecules. 2020; 25 (22): 5277.

[4]

Ahuja AS . The impact of artificial intelligence in medicine on the future role of the physician. PeerJ. 2019; 7: e7702.

[5]

Kaul V , Enslin S , Gross SA . History of artificial intelligence in medicine. Gastrointest Endosc. 2020; 92 (4): 807- 812.

[6]

Kuipers B , Feigenbaum EA , Hart PE , Nilsson NJ . Shakey: from conception to history. AI Mag. 2017; 38 (1): 88- 103.

[7]

Davenport T , Kalakota R . The potential for artificial intelligence in healthcare. Future Healthc J. 2019; 6 (2): 94- 98.

[8]

Pai A . 6 types of neural networks in deep learning. www.analyticsvidhya.com/blog/2020/02/cnn-vs-rnn-vs-mlp-analyzing-3-types-of-neural-networks-in-deep-learning/; 2025. Accessed April 8, 2025.

[9]

Tobore I , Li J , Yuhang L , et al. Deep learning intervention for health care challenges: some biomedical domain considerations. JMIR Mhealth Uhealth. 2019; 7 (8): e11966.

[10]

Turner OC , Aeffner F , Bangari DS , et al. Society of toxicologic pathology digital pathology and image analysis special interest group article*: opinion on the application of artificial intelligence and machine learning to digital toxicologic pathology. Toxicol Pathol. 2020; 48 (2): 277- 294.

[11]

Varnek A , Baskin I . Machine learning methods for property prediction in chemoinformatics: quo vadis. J Chem Inf Model. 2012; 52 (6): 1413- 1437.

[12]

Lo YC , Rensi SE , Torng W , Altman RB . Machine learning in chemoinformatics and drug discovery. Drug Discov Today. 2018; 23 (8): 1538- 1546.

[13]

Ghasemi F , Mehridehnavi A , Pérez-Garrido A , Pérez-Sánchez H . Neural network and deep-learning algorithms used in QSAR studies: merits and drawbacks. Drug Discov Today. 2018; 23 (10): 1784- 1790.

[14]

Segler MHS , Kogej T , Tyrchan C , Waller MP . Generating focused molecule libraries for drug discovery with recurrent neural networks. ACS Cent Sci. 2018; 4 (1): 120- 131.

[15]

Gupta A , Müller AT , Huisman BJH , Fuchs JA , Schneider P , Schneider G . Generative recurrent networks for de novo drug design. Mol Inform. 2018; 37 (1-2): 1700111.

[16]

Wafa AWA , Hussain M . A literature review of artificial intelligence. UMT Artificial Intell Rev. 2021; 1 (1): 1- 27.

[17]

Almirall . Almirall and Iktos Announce Research Collaboration in Artificial Intelligence for New Drug Design.

[18]

GEN . AstraZeneca, DeepMatter Launch AI-Based Compound Synthesis Collaboration.

[19]

Schrodinger . Schrödinger announces collaboration with AstraZeneca to deploy advanced computing technology for drug discovery. ir.schrodinger.com/pressreleases/news-details/2019/Schrdinger-Announces-Collaboration-withAstraZenecato-Deploy-Advanced-Computing-Technology-for-Drug-Discovery-09-04-2019/default.aspx; 2019. Accessed June 23, 2024.

[20]

Nordson . Bactevo enters drug discovery agreement with Boehringer Ingelheim. In: www.pharmaceuticalprocessingworld.com/bactevo-enters-drug-discoveryagreement-with-boehringer-ingelheim/; 2018. Accessed June 23, 2024.

[21]

Numerate . Numerate and Boehringer Ingelheim (Canada) form research collaboration based on in silico drug design technology. www.fiercebiotech.com/biotech/numerate-and-boehringer-ingelheim-canada-form-researchcollaborationbased-on-silico-drug; 2011. Accessed June 24, 2024.

[22]

Pharmaceutical Technology . BenevolentAI signs exclusive license agreement with Janssen for clinical-stage drugs. www.pharmaceutical-technology.com/news/newsbenevolentai-signs-exclusive-license-agreement-with-janssen-for-clinicalstagedrugs-5663207/?cf-view; 2016. Accessed June 24, 2024.

[23]

Pharmaceutical Technology . Janssen to use Iktos' AI technology for drug discovery. www.pharmaceutical-technology.com/news/janssen-iktos-ai-technology-drug/; 2019. Accessed June 5, 2024.

[24]

Insilico Medicine . WuXi AppTec leads strategic investment in insilico medicine to accelerate drug discovery using next-generation artificial intelligence. www.prnewswire.com/news-releases/wuxi-apptec-leads-strategic-investmentininsilico-medicine-to-accelerate-drug-discovery-using-next-generationartificialintelligence-300663758.html; 2018. Accessed June 6, 2024.

[25]

Cyclica . South Korean company. Yuhan Pharmaceuticals partners with Cyclica to advance R&D across two separate programs for oncology. cyclicarx.com/pressreleases/south-korean-company-yuhan-pharmaceuticals-partners-with-cyclicatoadvance-rd-across-two-separate-programs-for-oncology/; 2019. Accessed June 5,2024.

[26]

Shinde A , Pawar D , Sonawane K . Automation in pharmaceutical sector by implementation of artificial intelligence platform: a way forward. Int J Basic Clin Pharmacol. 2021; 10 (7): 863.

[27]

Vora LK , Gholap AD , Jetha K , Thakur RRS , Solanki HK , Chavda VP . Artificial intelligence in pharmaceutical technology and drug delivery design. Pharmaceutics. 2023; 15 (7): 1916.

[28]

Deloitte . From brawn to brains: the impact of technology on jobs in the UK. www2.deloitte.com/content/dam/Deloitte/uk/Documents/Growth/deloitteukinsights-from-brawns-to-brain.pdf; 2015. Accessed June 1, 2024.

[29]

Mohs RC , Greig NH . Drug discovery and development: role of basic biological research. Alzheimer's Dementia: Transl Res Clin Intervent. 2017; 3 (4): 651- 657.

[30]

Bohr A , Memarzadeh K . The rise of artificial intelligence in healthcare applications. In: Bohr A, Memarzadeh K, eds. Artificial Intelligence in Healthcare. Academic Press; 2020: 25- 60.

[31]

Hassanzadeh P , Atyabi F , Dinarvand R . The significance of artificial intelligence in drug delivery system design. Adv Drug Deliv Rev. 2019; 151-152: 169- 190.

[32]

Spencer M , Eickholt J , Cheng J . A deep learning network approach to ab initio protein secondary structure prediction. IEEE ACM Trans Comput Biol Bioinf. 2015; 12 (1): 103- 112.

[33]

AlQuraishi M . AlphaFold at CASP13. Bioinformatics. 2019; 35 (22): 4862- 4865.

[34]

Wang Y Bin , You ZH , Yang S , Yi HC , Chen ZH , Zheng K . A deep learning-based method for drug-target interaction prediction based on long short-term memory neural network. BMC Med Inf Decis Making. 2020; 20 (2): 49.

[35]

Hu S , Zhang C , Chen P , Gu P , Zhang J , Wang B . Predicting drug-target interactions from drug structure and protein sequence using novel convolutional neural networks. BMC Bioinf. 2019; 20 (Suppl 25): 689.

[36]

Mouchlis VD , Afantitis A , Serra A , et al. Advances in de novo drug design: From conventional to machine learning methods. Int J Mol Sci. 2021; 22 (4): 1676.

[37]

Schneider G , Fechner U . Computer-based de novo design of drug-like molecules. Nat Rev Drug Discov. 2005; 4 (8): 649- 663.

[38]

Hugh C . In: Cartwright H, ed. Artificial Neural Networks. 2190. 3rd ed. Springer US; 2021.

[39]

Shahreza ML , Ghadiri N , Mousavi SR , Varshosaz J , Green JR . A review of networkbased approaches to drug repositioning. Briefings Bioinf. 2018; 19 (5): 878- 892.

[40]

Ashburn TT , Thor KB . Drug repositioning: identifying and developing new uses for existing drugs. Nat Rev Drug Discov. 2004; 3 (8): 673- 683.

[41]

Pushpakom S , Iorio F , Eyers PA , et al. Drug repurposing: progress, challenges and recommendations. Nat Rev Drug Discov. 2019; 18 (1): 41- 58.

[42]

Hema Sree G , Saraswathy G , Murahari M , Krishnamurthy M . An update on drug repurposing: Re-written saga of the drug's fate. Biomed Pharmacother. 2019; 110: 700- 716.

[43]

Jarada TN , Rokne JG , Alhajj R . A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directions. J Cheminf. 2020; 12 (1): 1- 23.

[44]

Ko Y . Computational drug repositioning: current progress and challenges. Appl Sci. 2020; 10 (15): 5076.

[45]

Taskinen J , Yliruusi J . Prediction of physicochemical properties based on neural network modelling. Adv Drug Deliv Rev. 2003; 55 (9): 1163- 1183.

[46]

Zang Q , Mansouri K , Williams A , et al. In silico prediction of physicochemical properties of environmental chemicals using molecular fingerprints and machine learning. J Chem Inf Model. 2017; 57 (1): 36- 49.

[47]

Glem RC , Bender A , Arnby CH , Carlsson L , Boyer S , Smith J . Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME. Idrugs. 2006; 9 (3): 199- 204.

[48]

Wu Z , Ramsundar B , Feinberg EN , et al. MoleculeNet: a benchmark for molecular machine learning. Chem Sci. 2018; 9 (2): 513- 530.

[49]

Zhong F , Xing J , Li X , et al. Artificial intelligence in drug design. Sci China Life Sci. 2018; 61 (10): 1191- 1204.

[50]

Correia J , Resende T , Baptista D , Rocha M . Artificial intelligence in biological activity prediction. In: Fdez-Riverola F, Rocha M, Mohamad M, Zaki N, Castellanos-Garzon J, éds. Practical Applications of Computational Biology and Bioinformatics, 13th International Conference. PACBB 2019. Advances in Intelligent Systems and Computing. vol. 1005. Springer; 2020: 96- 104.

[51]

Petinrin OO , Olatunbosun K . Application of machine learning in prediction of bioactivity of molecular compounds: a review. Int Conf Sci Eng EnvironTech. 2017; 2 (2): 9- 15.

[52]

Tyrchan C , Evertsson E . Matched molecular pair analysis in short: algorithms, applications and limitations. Comput Struct Biotechnol J. 2017; 15: 86- 90.

[53]

Zhang L , Zhang H , Ai H , et al. Applications of machine learning methods in drug toxicity prediction. Curr Top Med Chem. 2018; 18 (12): 987- 997.

[54]

Yang H , Sun L , Li W , Liu G , Tang Y . In silico prediction of chemical toxicity for drug design using machine learning methods and structural alerts. Front Chem. 2018; 6: 30.

[55]

Idakwo G , Luttrell J , Chen M , et al. A review on machine learning methods for in silico toxicity prediction. J Environ Sci Health, Part C. 2018; 36 (4): 169- 191.

[56]

Mayr A , Klambauer G , Unterthiner T , Hochreiter S . DeepTox: toxicity prediction using deep learning. Front Environ Sci. 2016; 3: 80.

[57]

Wu Y , Wang G . Machine learning based toxicity prediction: from chemical structural description to transcriptome analysis. Int J Mol Sci. 2018; 19 (8): 2358- 2378.

[58]

Kleinstreuer v , Hartung T . Artificial intelligence (AI)-it's the end of the tox as we know it (and I feel fine). Arch Toxicol. 2024; 98 (3): 735- 754.

[59]

Ali RSAE , Meng J , Khan MEI , Jiang X . Machine learning advancements in organic synthesis: a focused exploration of artificial intelligence applications in chemistry. Artificial Intell Chem. 2024; 2 (1): 100049.

[60]

Bettenhausen C . IBM debuts chemical synthesis robot. cen.acs.org/business/informatics/IBM-debuts-chemical-synthesis-robot/98/i34; 2020. Accessed March 4, 2023.

[61]

Krinotek . Applications of artificial intelligence in pharma industry. krinotek.com/artificial-intelligence-in-pharma/; 2020. Accessed March 4, 2023.

[62]

Mitchell JB . Artificial intelligence in pharmaceutical research and development. Future Med Chem. 2018; 10 (13): 1529- 1531.

[63]

Gaikwad VL , Bhatia MS , Singhvi I . Effect of polymeric properties on physical characteristics of fast disintegrating ibuprofen tablets: a statistical approach. Pharm Lett. 2013; 5 (3): 140- 147.

[64]

Gaikwad VL , Kasabe AJ , Kulkarni AS , Bhatia NM , Bhatia MS . Quantitative structure-property relationship approach in formulation development: an overview. AAPS PharmSciTech. 2019; 20: 268.

[65]

Gaikwad VL , Bhatia MS , Singhvi I . Statistical modeling of physical characteristics of fast disintegrating glipizide tablets using polymeric properties. Int J Pharm Technol. 2013; 5 (2): 5586- 5601.

[66]

Gaikwad VL , Bhatia MS . Polymers influencing transportability profile of drug. Saudi Pharm J. 2013; 21 (4): 327- 335.

[67]

Gaikwad VL , Bhatia MS , Singhvi I . Experimental and chemoinformatics evaluation of some physicochemical properties of excipients influencing release kinetics of the acidic drug ibuprofen. Chemosphere. 2015; 138: 494- 502.

[68]

Gaikwad VL , Bhatia NM , Desai SA , Bhatia MS . Quantitative structure-property relationship modeling of excipient properties for prediction of formulation characteristics. Carbohydr Polym. 2016; 151: 593- 599.

[69]

Bhatia NM , Gaikwad VL , Mane RV , Dhavale RP , Bhatia MS . Quantitative structureproperty relationship modeling for prediction of hydrophilic drug entrapment in liposomes for lung targeted delivery. New J Chem. 2018; 42 (6): 4384- 4393.

[70]

Gaikwad VL , Bhatia MS , Singhvi I . Statistical significance of polymeric physicochemical properties in the development of formulations containing a drug from neutral class. Arab J Chem. 2016; 9 (Supplement 2): S1915- S1927.

[71]

Gaikwad VL , Bhatia NM , Singhvi I , Mahadik KR , Bhatia MS . Computational modeling of polymeric physicochemical properties for formulation development of a drug containing basic functionality. J Pharm Sci. 2017; 106 (11): 3337- 3345.

[72]

Sharma R . AI in pharma: a new perspective. www.expresspharma.in/ai-in-pharmaanew-perspective/; 2018. Accessed November 4, 2024.

[73]

Le TC , Mulet X , Burden FR , Winkler DA . Predicting the complex phase behavior of self-assembling drug delivery nanoparticles. Mol Pharm. 2013; 10 (4): 1368- 1377.

[74]

Youshia J , Ali ME , Lamprecht A . Artificial neural network based particle size prediction of polymeric nanoparticles. Eur J Pharm Biopharm. 2017; 119: 333- 342.

[75]

Zhang GL , Khan AM , Srinivasan KN , August JT , Brusic V . Neural models for predicting viral vaccine targets. J Bioinf Comput Biol. 2005; 3 (5): 1207- 1225.

[76]

Petrović J , Ibrić S , Betz G , Đurić Z . Optimization of matrix tablets controlled drug release using Elman dynamic neural networks and decision trees. Int J Pharm. 2012; 428 (1-2): 57- 67.

[77]

Ibrić S , Jovanović M , Djurić Z , Parojčić J , Solomun L , Lučić B . Generalized regression neural networks in prediction of drug stability. J Pharm Pharmacol. 2007; 59 (5): 745- 750.

[78]

Gams M , Horvat M , Ožek M , Luštrek M , Gradišek A . Integrating artificial and human intelligence into tablet production process. AAPS PharmSciTech. 2014; 15 (6): 1447- 1453.

[79]

Manzano T , Langer G . Getting ready for pharma 4.0. ispe.org/pharmaceuticalengineering/september-october-2018/getting-ready-pharma-40tm; 2018. Accessed March 4, 2024.

[80]

Kulshreshtha M . Industry 4.0 Technology: the key game changer for Indian manufacturing sector. www.financialexpress.com/industry/industry-4-0-technologythe-key-game-changer-for-indian-manufacturing-sector/2199098/; 2021. Accessed March 4, 2023.

[81]

Sartorius . The trending role of artificial intelligence in the pharmaceutical industry. www.sartorius.com/en/knowledge/science-snippets/the-trending-role-ofartificialintelligence-in-the-pharmaceutical-industry-599278; 2020. Accessed March 4, 2023.

[82]

Netscribes AI . In: Pharma: Top Five Applications. 2020. www.netscribes.com/aiinpharma-applications/. Accessed March 4, 2023.

[83]

Kalyane D , Sanap G , Paul D , et al. Artificial intelligence in the pharmaceutical sector: current scene and future prospect. In: Tekade RK, ed. Advances in Pharmaceutical Product Development and Research, the Future of Pharmaceutical Product Development and Research. Academic Press. 2020: 73- 107.

[84]

Ringel M . The future of quality control. In: www.pharmamanufacturing.com/qualityrisk/qrm-process/article/11304109/the-future-of-quality-control; 2018. Accessed March 4, 2023.

[85]

Aksu B , Paradkar A , De Matas M , Özer Ö , Güneri T , York P . Quality by design approach: application of artificial intelligence techniques of tablets manufactured by direct compression. AAPS PharmSciTech. 2012; 13 (4): 1138- 1146.

[86]

Mareana . How AI is changing quality control in the pharmaceutical industry. mareana.com/how-ai-changing-quality-control-in-pharmaceutical-industry/; 2024. Accessed June 5, 2024.

[87]

Shukla R , Shao Q , de Matas M . Artificial intelligence the key to process understanding. Pharmaceut Technol Eur. 2007; 19 (1): 1.

[88]

Elunic . AI-based quality assurance in pharmaceutical industry. www.elunic.com/en/showcase/quality-assurance-pharmaceutical-industry/; 2019. Accessed March 4, 2024.

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