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ORCID"Deep Learning Total Energies and Orbital Energies of Large Organic ..."
Obaidur Rahaman, Alessio Gagliardi (2020)
- Obaidur Rahaman
, Alessio Gagliardi:
Deep Learning Total Energies and Orbital Energies of Large Organic Molecules Using Hybridization of Molecular Fingerprints. J. Chem. Inf. Model. 60(12): 5971-5983 (2020)
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