Prediction of solubility of hydrogen in chemicals using QSPR-based machine learning approach: a comparative study.
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| Title: | Prediction of solubility of hydrogen in chemicals using QSPR-based machine learning approach: a comparative study. |
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| Authors: | Ebrahimpoor Gorji A; School of Chemical Engineering, Department of Chemical and Metallurgical Engineering, Aalto University, Research Group of Chemical Engineering, P.O. Box 16100, 00076, Aalto, Finland. ali.ebrahimpoorgorji@aalto.fi., Alopaeus V; School of Chemical Engineering, Department of Chemical and Metallurgical Engineering, Aalto University, Research Group of Chemical Engineering, P.O. Box 16100, 00076, Aalto, Finland. ville.alopaeus@aalto.fi. |
| Source: | Journal of computer-aided molecular design [J Comput Aided Mol Des] 2026 Jul 29; Vol. 40 (1). Date of Electronic Publication: 2026 Jul 29. |
| Publication Type: | Journal Article; Comparative Study |
| Journal Info: | Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 1573-4951 |
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| DOI: | 10.1007/s10822-026-00899-y |
