… Machine Learning for Pharmaceutical Discovery and Synthesis (MLPDS) consortium,
comprising MIT and 13 chemical … can be integrated into medicinal chemistry synthesis workflows, …

… role of AI in medicinal chemistry. We delve into the applications of machine learning and
deep … influence on the future trajectory of medicinal chemistry and stresses the importance of …

… Artificial learning and machine learning are playing pivotal roles in the society, especially
in the field of medicinal chemistry and drug discovery. Particularly its algorithms, neural …

… Machine learning algorithms have been part of the routine toolbox of computational and
medicinal chemists … have been made for the ability of Artificial Intelligence (AI) to accelerate the …

… a medicinal chemist. Massive amounts of data combined with machine-learning and/or artificial
intelligence (AI… Here, we show how improving medicinal chemistry by better curating and …

… Perhaps the greatest scepticism for AI in medicinal chemistry that we encounter is reserved
for chemical synthesis planning. This is unsurprising when one considers that: retrosynthesis …

… Over the past few years, interest has grown in the application of artificial intelligence (AI)
techniques to drug discovery 1,2 . One active branch of AI that has been the focus of a …

… Abstract Artificial Intelligence is computational approach to find solution from existing data, …
medicine, agriculture, etc. and pharmaceutical field is not out of its ambit. Artificial Intelligence …

… applications and explored by many groups working on medicinal chemistry related tasks.
Hop and colleagues (12) explored the performance of geometric deep learning methods in the …

… Since the 1960s, medicinal chemistry has applied AI in … chemical structures. Conversely,
unsupervised learning, which does not rely on labels, is also popular in medicinal chemistry, …