Artificial intelligence in the prediction of protein–ligand interactions: recent advances and future directions
New drug production, from target identification to marketing approval, takes over 12 years
and can cost around $2.6 billion. Furthermore, the COVID-19 pandemic has unveiled the …
and can cost around $2.6 billion. Furthermore, the COVID-19 pandemic has unveiled the …
Bayesian reaction optimization as a tool for chemical synthesis
Reaction optimization is fundamental to synthetic chemistry, from optimizing the yield of
industrial processes to selecting conditions for the preparation of medicinal candidates …
industrial processes to selecting conditions for the preparation of medicinal candidates …
[PDF][PDF] Development of interpretable AI to explore
H Li - 2023 - ir.library.osaka-u.ac.jp
In the last 20 years, materials used for dental restoration have changed from alloys and
metals to ceramics and resin composites because of the increasing aesthetic demand of …
metals to ceramics and resin composites because of the increasing aesthetic demand of …
Representation of chemical compounds and its utilization in similarity search
P Škoda - 2019 - dspace.cuni.cz
Virtual screening is a well-established part of computer-aided drug design, which heavily
employs similarity search and similarity modeling methods. Most of the popular methods are …
employs similarity search and similarity modeling methods. Most of the popular methods are …