TY - RPRT TI - Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs AU - Boiko, Daniil A AU - Reschützegger, Thiago AU - Sanchez-Lengeling, Benjamin AU - Blau, Samuel M AU - Gomes, Gabe PY - 2025 DO - 10.1038/s42256-025-01031-9 UR - https://www.osti.gov/biblio/2584101 ID - 2584101 ER -