Computer Drug Development: from Traditional Modeling Methods to Language Models and Quantum Computing

Адилова, Ф.Т., Давронов, Р.Р.

Рақамли технологияларнинг назарий ва амалий масалалари · 2025-yil

Annotatsiya

Drug development is a central topic at the intersection of structural biology, biochemistry, and medicine, associated with significant challenges such as high cost (billions of dollars), low success rates (less than 10%), and extremely long development cycles (10-15 years). The Computer Aided Drug Design (CADD) system demonstrates tremendous advantages in solving these tasks and speeding up the process, making it an indispensable tool in the pharmaceutical industry and scientific research. The recent development of AlphaFold2 and AlphaFold3, the 2024 Nobel Prize winners, marks significant progress in the field of CADD. In addition to AlphaFold, various machine learning (ML) methods are revolutionizing various stages of drug development, from virtual screening to predictive modeling of drug interactions and treatment targets. Language models such as GPT models offer promising applications for developing research hypotheses and helping to interpret complex biological data. Quantum computing has the potential to solve complex molecular modeling and optimization problems that are currently unsolvable for classical computers, although their practical implementation is still in its early stages. This analytical review presents the latest developments in this field and evaluates the possibilities presented by machine learning, language models and quantum computing in CADD.

Maqola ma’lumotlari
MualliflarАдилова, Ф.Т., Давронов, Р.Р.
JurnalРақамли технологияларнинг назарий ва амалий масалалари
NashriyotТАТУ Самарқанд филиали
ISSN2181-3086, 2181-3094
Nashr sanasi2025-09-30
Jild8
Son3
Betlar110-122
TilIngliz
Ilmiy sohaTexnika
DOI10.62132/ijdt.v8i3.294
Indeksga qo‘shilgan2026-08-26

DOI: 10.62132/ijdt.v8i3.294 · Maqolaning asl sahifasi

Kalit so‘zlar

компьютерная разработка лекарств, машинное обучение, глубокое обучение, квантовые вычисления, языковые модели, количественный анализ взаимосвязи структура-активность, поиск лекарств, молекулярное моделирование, предсказание структуры белка, виртуальный скрининг, AlphaFold2, AlphaFold3, гибридные квантово-классические алгоритмы, молекулярный докинг, неполные данные, молекулярный эмбеддинг, отпечатки Моргана, Computer-Aided Drug Design (CADD), Machine Learning (ML), Deep Learning (DL), Quantum Computing (QC), Language Models (LM), Quantitative Structure-Activity Relationship (QSAR), Drug Discovery, Molecular Modeling, Protein Structure Prediction, Virtual Screening, AlphaFold2, AlphaFold3, Hybrid Quantum-Classical Algorithms, Molecular Docking, Incomplete Data, Molecular Embedding, Morgan Fingerprint, ImageMol

Ilmiy soha

Texnika

Iqtibos keltirish

APAАдилова, Ф.Т., & Давронов, Р.Р. (2025). Computer Drug Development: from Traditional Modeling Methods to Language Models and Quantum Computing. Рақамли технологияларнинг назарий ва амалий масалалари, 8(3), 110-122. https://doi.org/10.62132/ijdt.v8i3.294
GOST (OAK)Адилова, Ф.Т., Давронов, Р.Р. Computer Drug Development: from Traditional Modeling Methods to Language Models and Quantum Computing // Рақамли технологияларнинг назарий ва амалий масалалари. – 2025. – T. 8, № 3. – P. 110-122. – DOI: 10.62132/ijdt.v8i3.294.
MLAАдилова, Ф.Т., and Давронов, Р.Р. “Computer Drug Development: from Traditional Modeling Methods to Language Models and Quantum Computing.” Рақамли технологияларнинг назарий ва амалий масалалари, 8(3), 110-122, 2025. https://doi.org/10.62132/ijdt.v8i3.294
ChicagoАдилова, Ф.Т., and Давронов, Р.Р. “Computer Drug Development: from Traditional Modeling Methods to Language Models and Quantum Computing.” Рақамли технологияларнинг назарий ва амалий масалалари, 8(3), 110-122 (2025). https://doi.org/10.62132/ijdt.v8i3.294
HarvardАдилова, Ф.Т., and Давронов, Р.Р (2025) ‘Computer Drug Development: from Traditional Modeling Methods to Language Models and Quantum Computing’, Рақамли технологияларнинг назарий ва амалий масалалари, 8(3), 110-122. https://doi.org/10.62132/ijdt.v8i3.294
BibTeX
@article{article2025,
  title = {Computer Drug Development: from Traditional Modeling Methods to Language Models and Quantum Computing},
  author = {Адилова, Ф.Т. and Давронов, Р.Р.},
  journal = {Рақамли технологияларнинг назарий ва амалий масалалари},
  year = {2025},
  volume = {8},
  number = {3},
  pages = {110-122},
  doi = {10.62132/ijdt.v8i3.294},
  url = {https://doi.org/10.62132/ijdt.v8i3.294}
}

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