Generative machine learning for de novo drug discovery: A systematic review
DD Martinelli - Computers in Biology and Medicine, 2022 - Elsevier
Recent research on artificial intelligence indicates that machine learning algorithms can
auto-generate novel drug-like molecules. Generative models have revolutionized de novo …
auto-generate novel drug-like molecules. Generative models have revolutionized de novo …
Innovative robotic technologies and artificial intelligence in pharmacy and medicine: paving the way for the future of health care—a review
M Stasevych, V Zvarych - Big Data and Cognitive Computing, 2023 - mdpi.com
The future of innovative robotic technologies and artificial intelligence (AI) in pharmacy and
medicine is promising, with the potential to revolutionize various aspects of health care …
medicine is promising, with the potential to revolutionize various aspects of health care …
Drug discovery is an eternal challenge for the biomedical sciences
Throughout history, humans have dreamed of finding a panacea for diseases and an elixir
for immortality. As alluded to in the popular Chinese legend of Shennong, who tasted …
for immortality. As alluded to in the popular Chinese legend of Shennong, who tasted …
QSARtuna: an automated qsar modeling platform for molecular property prediction in drug design
Machine-learning (ML) and deep-learning (DL) approaches to predict the molecular
properties of small molecules are increasingly deployed within the design–make–test …
properties of small molecules are increasingly deployed within the design–make–test …
Applications of hyperspectral imaging technology combined with machine learning in quality control of traditional Chinese medicine from the perspective of artificial …
Y Pan, H Zhang, Y Chen, X Gong, J Yan… - Critical reviews in …, 2024 - Taylor & Francis
Traditional Chinese medicine (TCM) is the treasure of China, and the quality control of TCM
is of crucial importance. In recent years, with the quick rise of artificial intelligence (AI) and …
is of crucial importance. In recent years, with the quick rise of artificial intelligence (AI) and …
Drug discovery and development: introduction to the general public and patient groups
N Singh, P Vayer, S Tanwar, JL Poyet… - Frontiers in Drug …, 2023 - frontiersin.org
Finding new drugs usually consists of five main stages: 1) a pre-discovery stage in which
basic research is performed to try to understand the mechanisms leading to diseases and …
basic research is performed to try to understand the mechanisms leading to diseases and …
Artificial intelligence for compound pharmacokinetics prediction
O Obrezanova - Current Opinion in Structural Biology, 2023 - Elsevier
Optimisation of compound pharmacokinetics (PK) is an integral part of drug discovery and
development. Animal in vivo PK data as well as human and animal in vitro systems are …
development. Animal in vivo PK data as well as human and animal in vitro systems are …
Integrated molecular modeling and machine learning for drug design
Modern therapeutic development often involves several stages that are interconnected, and
multiple iterations are usually required to bring a new drug to the market. Computational …
multiple iterations are usually required to bring a new drug to the market. Computational …
Artificial intelligence revolutionizing drug development: Exploring opportunities and challenges
By harnessing artificial intelligence (AI) algorithms and machine learning techniques, the
entire drug discovery process stands to undergo a profound transformation, offering a …
entire drug discovery process stands to undergo a profound transformation, offering a …
Models matter: The impact of single-step retrosynthesis on synthesis planning
Retrosynthesis consists of breaking down a chemical compound recursively step-by-step
into molecular precursors until a set of commercially available molecules is found with the …
into molecular precursors until a set of commercially available molecules is found with the …