Yasuhiko Morimoto

InstGAN: Instant Actor-Critic-Driven GAN for De Novo Molecule Generation and Property Optimization

Deep generative models, such as generative adversarial networks (GANs), have been employed for de~novo molecular generation in drug discovery. Most prior studies have utilized reinforcement learning (RL) algorithms, particularly Monte Carlo tree search (MCTS), to handle the discrete nature of molecu