Artificial intelligence to deep learning: machine intelligence approach for drug discovery

R Gupta, D Srivastava, M Sahu, S Tiwari, RK Ambasta… - Molecular …, 2021 - Springer
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …

[HTML][HTML] New opportunities and challenges of natural products research: When target identification meets single-cell multiomics

Y Zhu, Z Ouyang, H Du, M Wang, J Wang, H Sun… - … Pharmaceutica Sinica B, 2022 - Elsevier
Natural products, and especially the active ingredients found in traditional Chinese medicine
(TCM), have a thousand-year-long history of clinical use and a strong theoretical basis in …

DrugBank 6.0: the DrugBank knowledgebase for 2024

C Knox, M Wilson, CM Klinger, M Franklin… - Nucleic acids …, 2024 - academic.oup.com
First released in 2006, DrugBank (https://go. drugbank. com) has grown to become the 'gold
standard'knowledge resource for drug, drug–target and related pharmaceutical information …

Drawbacks of artificial intelligence and their potential solutions in the healthcare sector

B Khan, H Fatima, A Qureshi, S Kumar… - Biomedical Materials & …, 2023 - Springer
Artificial intelligence (AI) has the potential to make substantial progress toward the goal of
making healthcare more personalized, predictive, preventative, and interactive. We believe …

Artificial intelligence and machine learning technology driven modern drug discovery and development

C Sarkar, B Das, VS Rawat, JB Wahlang… - International Journal of …, 2023 - mdpi.com
The discovery and advances of medicines may be considered as the ultimate relevant
translational science effort that adds to human invulnerability and happiness. But advancing …

Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations

P Das, T Sercu, K Wadhawan, I Padhi… - Nature Biomedical …, 2021 - nature.com
The de novo design of antimicrobial therapeutics involves the exploration of a vast chemical
repertoire to find compounds with broad-spectrum potency and low toxicity. Here, we report …

Artificial intelligence in drug discovery and development

KK Mak, YH Wong, MR Pichika - Drug discovery and evaluation: safety …, 2024 - Springer
This chapter comprehensively explores the pivotal role of artificial intelligence (AI) in drug
discovery and development, encapsulating its potentials, methodologies, real-world …

Machine learning methods in drug discovery

L Patel, T Shukla, X Huang, DW Ussery, S Wang - Molecules, 2020 - mdpi.com
The advancements of information technology and related processing techniques have
created a fertile base for progress in many scientific fields and industries. In the fields of drug …

Blockchain and artificial intelligence technology in e-Health

P Tagde, S Tagde, T Bhattacharya, P Tagde… - … Science and Pollution …, 2021 - Springer
Blockchain and artificial intelligence technologies are novel innovations in healthcare
sector. Data on healthcare indices are collected from data published on Web of Sciences …

Predicting drug–disease associations through layer attention graph convolutional network

Z Yu, F Huang, X Zhao, W Xiao… - Briefings in …, 2021 - academic.oup.com
Background: Determining drug–disease associations is an integral part in the process of
drug development. However, the identification of drug–disease associations through wet …