TY - JOUR AU - Brozos, Christoforos AU - Bhattacharya, Sandip AU - Rittig, Jan Gerald AU - Akanny, Elie AU - Eiden, Philipp AU - Mitsos, Alexander TI - Predicting the equivalent alkane carbon number of oils using graph neural networks and quantum mechanical descriptors JO - Computers & chemical engineering VL - 204 SN - 0098-1354 CY - Amsterdam [u.a.] PB - Elsevier Science M1 - RWTH-2025-08714 SP - 109425 PY - 2026 N1 - Received 10 January 2025, Revised 7 June 2025, Accepted 26 September 2025, Available online 30 September 2025 LB - PUB:(DE-HGF)16 ; PUB:(DE-HGF)7 UR - <Go to ISI:>//WOS:001589089400001 DO - DOI:10.1016/j.compchemeng.2025.109425 UR - https://publications.rwth-aachen.de/record/1020007 ER -