Optimization of Molecules via Deep Reinforcement Learning
Sign Up to like & getrecommendations! Published in 2019 at "Scientific Reports"
DOI: 10.1038/s41598-019-47148-x
Abstract: We present a framework, which we call Molecule Deep Q-Networks (MolDQN), for molecule optimization by combining domain knowledge of chemistry and state-of-the-art reinforcement learning techniques (double Q-learning and randomized value functions). We directly define modifications… read more here.
Keywords: optimization molecules; chemistry; reinforcement learning; optimization ... See more keywords
Active Targeting of Drugs and Bioactive Molecules via Oral Administration by Ligand-Conjugated Lipidic Nanocarriers: Recent Advances
Sign Up to like & getrecommendations! Published in 2018 at "AAPS PharmSciTech"
DOI: 10.1208/s12249-018-1262-2
Abstract: The oral route is the most widely accepted and commonly used route for administration. However, this route may not be suitable for certain drug candidates which suffer from the problem of low aqueous solubility and… read more here.
Keywords: active targeting; bioactive molecules; lipidic nanocarriers; ligand conjugated ... See more keywords