In a new paper, researchers at IBM Research recently presented a novel approach to retrosynthesis. In chemical synthesis, the retrosynthesis problem involves determining the optimal sequence of steps to synthesize a given molecule starting from readily available building blocks, known as precursors. In retrosynthesis, a chemist or computational model must first identify a suitable disconnection […]
Neural sequence models have recently produced astonishing results in domains ranging from natural language to proteins and biochemistry. Current sequence models trained on text can explain jokes, answer trivia, and even write code. AlphaFold is a sequence model trained to predict protein structure with near-experimental accuracy. In the chemistry domain, sequence models have also been used for learning problems on […]