Researchers train computers to predict the next designer drugs

Journal Reference: Skinnider, M.A., Wang, F., Pasin, D. et al. A deep generative model enables automated structure elucidation of novel psychoactive substances. Nat Mach Intell, 2021 DOI: 10.1038/s42256-021-00407-x Law enforcement agencies are in a race to identify and regulate new versions of dangerous psychoactive drugs such as bath salts and synthetic opioids, even as clandestine … Read more

New method to predict stress at atomic scale

Journal Reference: Y. Cui, H.B. Chew. Machine-Learning Prediction of Atomistic Stress along Grain Boundaries. Acta Materialia, 2022; 222: 117387 DOI: 10.1016/j.actamat.2021.117387 According to Huck Beng Chew and his doctoral student Yue Cui, materials, such as copper, are very different at these very small scales. “Metals are typically polycrystalline in that they contain many grains,” Chew … Read more

New imaging biomarkers predict antidepressant response

Journal Reference: Kevin P. Nguyen, Cherise Chin Fatt, Alex Treacher, Cooper Mellema, Crystal Cooper, Manish K. Jha, Benji Kurian, Maurizio Fava, Patrick J. McGrath, Myrna Weissman, Mary L. Phillips, Madhukar H. Trivedi, Albert Montillo. Patterns of Pre-Treatment Reward Task Brain Activation Predict Individual Antidepressant Response: Key Results from the EMBARC Randomized Clinical Trial. Biological Psychiatry, … Read more

Better models of atmospheric ‘detergent’ can help predict climate change

Journal Reference: Lee T. Murray, Arlene M. Fiore, Drew T. Shindell, Vaishali Naik, Larry W. Horowitz. Large uncertainties in global hydroxyl projections tied to fate of reactive nitrogen and carbon. Proceedings of the National Academy of Sciences, 2021; 118 (43): e2115204118 DOI: 10.1073/pnas.2115204118 It is difficult to measure OH, however, and it is not directly … Read more

Clues from the ancient past can help predict abrupt climate change

Journal Reference: Peter O. Hopcroft, Paul J. Valdes. Paleoclimate-conditioning reveals a North Africa land–atmosphere tipping point. Proceedings of the National Academy of Sciences, 2021; 118 (45): e2108783118 DOI: 10.1073/pnas.2108783118 Current understanding of tipping points, in which the climate system exceeds a threshold beyond which large and often irreversible changes occur, is limited. This is because … Read more