[HTML][HTML] From machine learning to deep learning: Advances of the recent data-driven paradigm shift in medicine and healthcare
The medicine and healthcare sector has been evolving and advancing very fast. The
advancement has been initiated and shaped by the applications of data-driven, robust, and …
advancement has been initiated and shaped by the applications of data-driven, robust, and …
[HTML][HTML] Simulation-based approaches for drug delivery systems: Navigating advancements, opportunities, and challenges
I Salahshoori, M Golriz, MAL Nobre, S Mahdavi… - Journal of Molecular …, 2024 - Elsevier
Efficient drug delivery systems (DDSs) play a pivotal role in ensuring pharmaceuticals'
targeted and effective administration. However, the intricate interplay between drug …
targeted and effective administration. However, the intricate interplay between drug …
Recent advances in machine-learning-based chemoinformatics: a comprehensive review
In modern drug discovery, the combination of chemoinformatics and quantitative structure–
activity relationship (QSAR) modeling has emerged as a formidable alliance, enabling …
activity relationship (QSAR) modeling has emerged as a formidable alliance, enabling …
Industry 4.0 technologies adoption for digital transition in drug discovery and development: a review
At present, every nation is focused on meeting sustainable development goals (SDGs) by
2030 for social, economic, and environmental sustainability. Automation of drug discovery …
2030 for social, economic, and environmental sustainability. Automation of drug discovery …
[HTML][HTML] Application of artificial intelligence in modern medicine
N Xu, D Yang, K Arikawa, C Bai - Clinical eHealth, 2023 - Elsevier
Over the last decade, artificial intelligence in medicine has attracted much attention and
interest for its robust automation and efficiency in disease diagnosis, treatment and …
interest for its robust automation and efficiency in disease diagnosis, treatment and …
Pharmacological chaperones and protein conformational diseases: approaches of computational structural biology
D Grasso, S Galderisi, A Santucci, A Bernini - International Journal of …, 2023 - mdpi.com
Whenever a protein fails to fold into its native structure, a profound detrimental effect is likely
to occur, and a disease is often developed. Protein conformational disorders arise when …
to occur, and a disease is often developed. Protein conformational disorders arise when …
Scaffold Splits Overestimate Virtual Screening Performance
Q Guo, S Hernandez-Hernandez… - … Conference on Artificial …, 2024 - Springer
Virtual Screening (VS) of vast compound libraries guided by Artificial Intelligence (AI)
models is a highly productive approach to early drug discovery. Data splitting is crucial for …
models is a highly productive approach to early drug discovery. Data splitting is crucial for …
Advances in machine intelligence‐driven virtual screening approaches for big‐data
Virtual screening (VS) is an integral and ever‐evolving domain of drug discovery framework.
The VS is traditionally classified into ligand‐based (LB) and structure‐based (SB) …
The VS is traditionally classified into ligand‐based (LB) and structure‐based (SB) …
Extended study on atomic featurization in graph neural networks for molecular property prediction
Graph neural networks have recently become a standard method for analyzing chemical
compounds. In the field of molecular property prediction, the emphasis is now on designing …
compounds. In the field of molecular property prediction, the emphasis is now on designing …
Analysis of metabolites in human gut: illuminating the design of gut-targeted drugs
A Gil-Pichardo, A Sánchez-Ruiz… - Journal of …, 2023 - Springer
Gut-targeted drugs provide a new drug modality besides that of oral, systemic molecules,
that could tap into the growing knowledge of gut metabolites of bacterial or host origin and …
that could tap into the growing knowledge of gut metabolites of bacterial or host origin and …