COMPUTERS IN PHARMACEUTICAL RESEARCH AND DEVELOPMENT

Authors

MS. PRAKRITI DIWAN UPADHYAY, Associate professor Danteshwari College of Pharmacy, Borpadar, Jagdalpur, 494221; DR. RITESH KUMAR, Associate Professor , Sharda School of Pharmacy, Sharda University Agra, Uttar Pradesh, India, Pin- 282007; MS. SHRADDHA DINGARE, Assistant Professor , TMV Lokmanya Institute of pharmaceutical sciences, Pune, Pin 4110037; MS. KHANAPURE PRITI PARMESHWAR, Assistant professor , DES'S Dayanand College of Pharmacy, Barshi Road, Latur, Pin-413512; DR. A JULLIYAN DILLEBAN, Department of Pharmacy Practice, Arulmigu Kalasalingam College of Pharmacy, Virudhunagar, Tamilnadu, India, 626126

Synopsis

 

Computers have revolutionized pharmaceutical research and development (R&D), transforming it from manual, time-consuming processes into highly efficient, data-driven workflows. Their integration has accelerated drug discovery, improved precision, and enabled deeper insights into molecular interactions.

???? Key Highlights:
  • Historical Evolution: From basic calculators and punch cards in the 1940s to modern AI-powered platforms, computers have steadily reshaped pharmaceutical R&D.
  • Computational Chemistry: Early use of molecular modeling and simulations laid the foundation for structure-based drug design, allowing researchers to predict drug-target interactions.
  • High-Performance Computing: The rise of mainframes and clusters enabled large-scale data analysis, molecular dynamics, and quantum mechanics simulations.
  • Artificial Intelligence & Machine Learning: These technologies now drive predictive modeling, target identification, and lead optimization, analyzing vast datasets to uncover patterns beyond human capability.
  • Collaborative Platforms: Cloud computing and digital tools have fostered global collaboration, remote access to resources, and streamlined data sharing.
  • Future Outlook: Quantum computing and big data analytics promise to further enhance drug development, making processes faster, more accurate, and cost-effective.

 

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Volume

COMPUTER AIDED DRUG DEVELOPMENT

Pages

1-49

Published

July 16, 2025
Copyright (c) 2025 Dr. I. Somasundaram, Mr. Praveen Sekar, Ms. Rohini Armo, Dr Bhupen Kumar Baruah (Volume editor); MS. SNNEHAA BHOSLE, NEHA ARORA, MONU KUMAR (MK GROVER), DR. T. DEBORAH PARIPURANAM, DR. AVINASH JORIYA, SANOBER PARVEEN, MR. YOGESH MATTA, MS. DHANASHRI DEVENDRA BORAWAKE, DR. URMILA RAGHUVANSHI, AISHWARYA JHALA, DR. THENRAJA SHANKAR, DR. A JULLIYAN DILLEBAN, MR. GADGE SHUBHAM CHANDRAKANT, DR. LAKSHMI, DR. S. REGHA, DR. VELENTI CHAUHAN, DR. MOIDUL ISLAM JUDDER, DR. MONIKA RAKSE, V. GEETHA, DR. MUKESH KUMAR MEENA, MS. PRAKRITI DIWAN UPADHYAY, DR. RITESH KUMAR, MS. SHRADDHA DINGARE, MS. KHANAPURE PRITI PARMESHWAR, DR. A JULLIYAN DILLEBAN, MS. PRAKRITI DIWAN UPADHYAY, DR. RITESH KUMAR, DR. RESHU TIWARI, Dr VINAY SAGAR VERMA, DR. FARAH DEEBA, MR. SHOUVIK MONDAL, MR. OMPRAKASH B, DR. KAVITHA S PATIL, MAYANDIGARI GURUVAREDDY, DR. JAYASANKAR NARAYANAN (Chapter Author)

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How to Cite

UPADHYAY, M. P. D. ., KUMAR, D. R., DINGARE, M. S. ., PARMESHWAR, M. K. P. ., & DILLEBAN, D. A. J. (2025). COMPUTERS IN PHARMACEUTICAL RESEARCH AND DEVELOPMENT. In Dr. I. Somasundaram, M. B. K. . Baruah, M. P. . Sekar, & M. R. A. Armo (Eds.), COMPUTER AIDED DRUG DEVELOPMENT (pp. 1-49). Nexus Knowledge Publication (Imprint of AKT Multitask Consultancy). https://nknpub.com/1/catalog/book/8/chapter/19