Deep generative neural networks have been used increasingly in computational chemistry for de novo design of molecules with desired properties. Many deep learning approaches employ reinforcement ...

Generative models for structure-based molecular design hold considerable promise for drug discovery, with the potential to speed up the hit-to-lead development cycle while improving the quality of ...

Artificial intelligence is no longer confined to data crunching and automation; it's making profound inroads into the creative industries. Generative models like generative adversarial networks (GANs) ...