Figure 4.
A proposed multimodal generative model in the drug discovery applications
(A) A hybrid data model can fully capture diverse information during drug design, including chemical, drug-target interactions, drug-disease knowledge, and disease-relevant expression of target (protein/gene).
(B) A multimodal generative model can consider various drug discovery pipeline components to increase likelihood of success of clinical trials. ADME-Tox, absorption, distribution, metabolism, and excretion-toxicity; IC50, half-maximal inhibitory concentration.