Artificial intelligence and ultra-high performance computing methods and experiments for drug discovery: virtual screening, deep learning, molecular dynamics simulations, ADMET modelling, and experimental validation
The expansion of chemical space, advanced virtual screening, deep learning, molecular dynamics simulations, Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) modelling, and challenges for drug discovery are discussed.
Lun-Na Li, Lianna D. Soriano, W. M. Kedir et al.
· Molecular Biomedicine · 0 citations