FlowER: MIT's Chemical Reaction Predictior with Generative AI MIT researchers are developing a generative AI system that not only predicts chemical reactions but does so while adhering to the physical laws that govern real-world chemistry. Modeling chemical reac... Chemical reactions Chemistry Electron conservation Generative AI Machine learning Materials discovery Open source Reaction prediction
Revolutionizing Polystyrene Recycling Through Photothermal Conversion The increasing accumulation of plastic waste , particularly black polystyrene, has posed significant environmental challenges due to its poor recyclability. A recent NIH funded study by Oh et al. (202... Chemistry
Rapid Traversal of Vast Chemical Space Using Machine Learning-guided Docking Screens The exponential growth of make-on-demand chemical libraries offers unprecedented opportunities for early drug discovery. However, screening these multi-billion-scale (potentially multi-trillion soon) ... Chemistry Computer Science Medicine