Machine learning in drug discovery: a review
This review provides the feasible literature on drug discovery through ML tools and
techniques that are enforced in every phase of drug development to accelerate the research …
techniques that are enforced in every phase of drug development to accelerate the research …
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 …
translational science effort that adds to human invulnerability and happiness. But advancing …
Therapeutics data commons: Machine learning datasets and tasks for drug discovery and development
Therapeutics machine learning is an emerging field with incredible opportunities for
innovatiaon and impact. However, advancement in this field requires formulation of …
innovatiaon and impact. However, advancement in this field requires formulation of …
Concepts of artificial intelligence for computer-assisted drug discovery
X Yang, Y Wang, R Byrne, G Schneider… - Chemical …, 2019 - ACS Publications
Artificial intelligence (AI), and, in particular, deep learning as a subcategory of AI, provides
opportunities for the discovery and development of innovative drugs. Various machine …
opportunities for the discovery and development of innovative drugs. Various machine …
Application of variational graph encoders as an effective generalist algorithm in computer-aided drug design
Although there has been considerable progress in molecular property prediction in
computer-aided drug design, there is a critical need to have fast and accurate models. Many …
computer-aided drug design, there is a critical need to have fast and accurate models. Many …
Artificial intelligence in drug design
Thanks to the fast improvement of the computing power and the rapid development of the
computational chemistry and biology, the computer-aided drug design techniques have …
computational chemistry and biology, the computer-aided drug design techniques have …
In silico ADME-Tox modeling: progress and prospects
S Alqahtani - Expert opinion on drug metabolism & toxicology, 2017 - Taylor & Francis
Introduction: Although significant progress has been made in high-throughput screening of
absorption, distribution, metabolism and excretion, and toxicity (ADME-Tox) properties in …
absorption, distribution, metabolism and excretion, and toxicity (ADME-Tox) properties in …
Artificial intelligence (AI) in drugs and pharmaceuticals
The advancement of computing and technology has invaded all the dimensions of science.
Artificial intelligence (AI) is one core branch of Computer Science, which has percolated to …
Artificial intelligence (AI) is one core branch of Computer Science, which has percolated to …
Recent applications of machine learning in medicinal chemistry
J Panteleev, H Gao, L Jia - Bioorganic & medicinal chemistry letters, 2018 - Elsevier
In recent decades, artificial intelligence and machine learning have played a significant role
in increasing the efficiency of processes across a wide spectrum of industries. When it …
in increasing the efficiency of processes across a wide spectrum of industries. When it …
Improving the accuracy of predicted human pharmacokinetics: lessons learned from the AstraZeneca drug pipeline over two decades
M Davies, RDO Jones, K Grime… - Trends in …, 2020 - cell.com
During drug discovery and prior to the first human dose of a novel candidate drug, the
pharmacokinetic (PK) behavior of the drug in humans is predicted from preclinical data. This …
pharmacokinetic (PK) behavior of the drug in humans is predicted from preclinical data. This …