Recent Development, Applications, and Patents of Artificial Intelligence in Drug Design and Development.

Prashant Kumar, Alpana Mahor, Roopam Tomar
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Abstract

Drug design and development are crucial areas of study for chemists and pharmaceutical companies. Nevertheless, the significant expenses, lengthy process, inaccurate delivery, and limited effectiveness present obstacles and barriers that affect the development and exploration of new drugs. Moreover, big and complex datasets from clinical trials, genomics, proteomics, and microarray data also disrupt the drug discovery approach. The integration of Artificial Intelligence (AI) into drug design is both timely and crucial due to several pressing challenges in the pharmaceutical industry, including the escalating costs of drug development, high failure rates in clinical trials, and the in-creasing complexity of disease biology. AI offers innovative solutions to address these challenges, promising to improve the efficiency, precision, and success rates of drug discovery and development. Artificial intelligence (AI) and machine learning (ML) technology are crucial tools in the field of drug discovery and development. More precisely, the field has been revolutionized by the utilization of deep learning (DL) techniques and artificial neural networks (ANNs). DL algorithms & ML have been employed in drug design using various approaches such as physiochemical activity, polyphar-macology, drug repositioning, quantitative structure-activity relationship, pharmacophore modeling, drug monitoring and release, toxicity prediction, ligand-based virtual screening, structure-based vir-tual screening, and peptide synthesis. The use of DL and AI in this field is supported by historical evidence. Furthermore, management strategies, curation, and unconventional data mining aided as-sistance in modern modeling algorithms. In summary, the progress made in artificial intelligence and deep learning algorithms offers a promising opportunity for the development and discovery of effec-tive drugs, ultimately leading to significant benefits for humanity. In this review, several tools and algorithmic programs have been discussed which are being used in drug design along with the de-scriptions of the patents that have been granted for the use of AI in this field, which constitutes the main focus of this review and differentiates it fromalready published materials.

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药物设计和开发是化学家和制药公司的重要研究领域。然而,巨额的费用、漫长的过程、不准确的交付和有限的有效性,这些都是影响新药开发和探索的障碍和壁垒。此外,来自临床试验、基因组学、蛋白质组学和微阵列数据的庞大而复杂的数据集也扰乱了药物发现方法。由于制药行业面临着一些紧迫的挑战,包括药物开发成本不断攀升、临床试验失败率高以及疾病生物学的复杂性不断增加,因此将人工智能(AI)融入药物设计既及时又至关重要。人工智能为应对这些挑战提供了创新解决方案,有望提高药物研发的效率、精确度和成功率。人工智能(AI)和机器学习(ML)技术是药物研发领域的重要工具。更确切地说,深度学习(DL)技术和人工神经网络(ANNs)的应用给这一领域带来了革命性的变化。DL 算法和 ML 已被用于药物设计中的各种方法,如理化活性、多药理学、药物重新定位、定量结构-活性关系、药效建模、药物监测和释放、毒性预测、基于配体的虚拟筛选、基于结构的病毒虚拟筛选和多肽合成。DL 和人工智能在这一领域的应用得到了历史证据的支持。此外,管理策略、整理和非传统数据挖掘也有助于现代建模算法的发展。总之,人工智能和深度学习算法取得的进展为开发和发现有效药物提供了大有可为的机会,最终将为人类带来巨大的利益。本综述讨论了药物设计中正在使用的几种工具和算法程序,并对人工智能在这一领域的应用所授予的专利进行了说明,这构成了本综述的主要重点,并使其有别于已出版的资料。
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