Memory-assisted reinforcement learning for diverse molecular de novo design

RT @mitsunaka1984: Reinforcement learning is used with a memory effect to realize chemical diversity in de novo molecular design. https://…

Reinforcement learning is used with a memory effect to realize chemical diversity in de novo molecular design. https://t.co/w56pRv8V7L

RT @hirokaneko226: 生成される化学構造の多様性も考慮して目標の活性・物性をもつ構造を生成させる論文。REINVENTのスコアリング関数を、既存の化合物のscaffoldと類似度を踏まえて修正。LogPの最適化やHTR1AやDRD2に対する活性の最適化で検証。コ…

RT @LibKot: Memory-assisted reinforcement learning for diverse molecular de novo design https://t.co/LsFowGB7QB #maskotlib