Lead optimization, a critical step in early stage drug discovery, involves making chemical modifications to a small-molecule ligand to improve properties such as binding affinity. We recently developed DeepFrag, a deep-learning model capable of recommending such modifications. Though a powerful hypothesis-generating tool, DeepFrag is currently…[Read more]

Lead optimization, a critical step in early stage drug discovery, involves making chemical modifications to a small-molecule ligand to improve properties such as binding affinity. We recently developed DeepFrag, a deep-learning model capable of recommending such modifications. Though a powerful hypothesis-generating tool, DeepFrag is currently…[Read more]

Natural and artificial radionuclides found were 40K with an average of 245 Bq/kg in river sediments, 499 Bq/kg in reservoir sediments and 121 Bq/kg in fish, and 90Sr with a concentration between 0.40 and 1.30 Bq/kg in sediments. Contamination of the aquatic ecosystem with metals and radionuclides was low according to European legislation. In…[Read more]