Free-energy analysis in drug discovery: an interview with Stefano Leoni
Inhibitor analysis for Alzheimer’s points towards a polypharmacology approach: abstract highlights from PharmSci360 day 3
Latest news, Computational chemistry and informatics, Novel lead compounds, Drug repurposing, Therapeutic targets, Neurological & Psychiatric , Infectious , Cancer
Increasing predictability in drug discovery using nanoinformatics: an interview with Yosi Shamay
A peek behind the paper: compound optimization monitor (COMO) for computational evaluation of lead optimization
A GPS for chemists: machine-learning algorithm predicts chemical reactions
Study demonstrates capability of generative reinforcement learning in drug discovery
Ask the experts: what do the next 5—10 years look like for artificial intelligence?
Ask the experts: is there too much hype surrounding the promise of artificial intelligence?
Ask the experts: how can artificial intelligence address some of the problems faced by drug discovery?