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Cited by 336

The DOI matches its Crossref record; 147 of the 147 references it cites were found in a registry or an index.

Computer-Aided Drug Design and Drug Discovery: A Prospective Analysis

Open access
Niazi, Sarfaraz K., Mariam, Zamara·2023·Pharmaceuticals
DOI 10.3390/ph17010022
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Abstract

In the dynamic landscape of drug discovery, Computer-Aided Drug Design (CADD) emerges as a transformative force, bridging the realms of biology and technology. This paper overviews CADDs historical evolution, categorization into structure-based and ligand-based approaches, and its crucial role in rationalizing and expediting drug discovery. As CADD advances, incorporating diverse biological data and ensuring data privacy become paramount. Challenges persist, demanding the optimization of algorithms and robust ethical frameworks. Integrating Machine Learning and Artificial Intelligence amplifies CADDs predictive capabilities, yet ethical considerations and scalability challenges linger. Collaborative efforts and global initiatives, exemplified by platforms like Open-Source Malaria, underscore the democratization of drug discovery. The convergence of CADD with personalized medicine offers tailored therapeutic solutions, though ethical dilemmas and accessibility concerns must be navigated. Emerging technologies like quantum computing, immersive technologies, and green chemistry promise to redefine the future of CADD. The trajectory of CADD, marked by rapid advancements, anticipates challenges in ensuring accuracy, addressing biases in AI, and incorporating sustainability metrics. This paper concludes by highlighting the need for proactive measures in navigating the ethical, technological, and educational frontiers of CADD to shape a healthier, brighter future in drug discovery.

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Cites

Show all 147 references

Research works printed but not linked: 23

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Metadata

Authors
Niazi, S. K., & Mariam, Z.
Venue
Pharmaceuticals
Publisher
MDPI AG
Published
2023-12-22
Volume
17
Issue
1
Pages
22
ISSN
1424-8247 (ISSN-L)
DOI
10.3390/ph17010022
OpenAlex
W4390114224
Cited by
336
References
147
FWCI
44.22
Type
journal article
Language
en
Open access
gold
Licence
creativecommons.org/licenses/by/4.0/ (vor)

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CoChat. (2026). Citation check: Computer-Aided Drug Design and Drug Discovery: A Prospective Analysis. https://app.cochat.ai/papers/10.3390/ph17010022
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Niazi, S. K., & Mariam, Z. (2023). Computer-Aided Drug Design and Drug Discovery: A Prospective Analysis. Pharmaceuticals. https://doi.org/10.3390/ph17010022

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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.

Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.