The reliable prediction of chemical reactivity remains in the realm of knowledgeable synthetic chemists. Here, researchers propose a chemistry-motivated graph neural network called LocalTransform, which learns organic reactivity based on generalized reaction templates to describe the net changes in electron configuration between the reactants and products. The proposed concept dramatically reduces the number of reaction rules and exhibits state-of-the-art product prediction accuracy. Machine learning algorithms are a powerful tool in healthcare, but sometimes perform no better than traditional statistical techniques. Steps should be taken to ensure that algorithms are not overused or misused, in order to provide genuine benefit for patients.

Cancer is a disease that stems from the disruption of cellular state. Through genetic perturbations, tumor cells attain cellular states that give them proliferative advantage over the surrounding normal tissue [1]. The inherent variability of this process has hampered efforts to find highly effective common therapies, thereby ushering the need for precision medicine [2]. The scale of single-cell experiments is poised to revolutionize personalized medicine by effective characterization of the complete heterogeneity within a tumor for each individual patient [3, 4]. Recent expansion of single-cell sequencing technologies has exponentially increased the scale of knowledge attainable through a single biological experiment [5].

What if a new treatment for Alzheimer's disease exists today among existing U.S. Food and Drug Administration (FDA) approved drugs? A new peer-reviewed study published last week in Nature Communications by researchers at Harvard Medical School and Massachusetts General Hospital shows how an AI machine learning framework combined with genomics can help predict drug repurposing candidates for Alzheimer's disease. There are an estimated 50 million people living with Alzheimer's disease, a neurodegenerative disorder, and other forms of dementia globally according to the World Alzheimer Report 2018. In the United States, 5.8 million people are affected by Alzheimer's disease--two-thirds of whom are women. There are over 16 million people in the U.S. caring for those with Alzheimer's according to an article published today in Time by Maria Shriver, founder of the Women's Alzheimer's Movement, and George Vradenburg, co-founder of UsAgainstAlzheimer's.