| scholarly article | Q13442814 |
| P818 | arXiv ID | 1701.04503 |
| P8978 | DBLP publication ID | journals/jcc/GohHV17 |
| P356 | DOI | 10.1002/JCC.24764 |
| P698 | PubMed publication ID | 28272810 |
| P50 | author | Garrett B Goh | Q88918615 |
| Nathan Hodas | Q104530806 | ||
| P2093 | author name string | Abhinav Vishnu | |
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| Advances in methods and algorithms in a modern quantum chemistry program package. | Q34556469 | ||
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| P433 | issue | 16 | |
| P921 | main subject | quantum chemistry | Q188403 |
| deep learning | Q197536 | ||
| machine learning | Q2539 | ||
| computational chemistry | Q369472 | ||
| toxicology | Q7218 | ||
| protein structure prediction | Q899656 | ||
| Materials Genome | Q6786587 | ||
| P304 | page(s) | 1291-1307 | |
| P577 | publication date | 2017-03-08 | |
| P1433 | published in | Journal of Computational Chemistry | Q3186908 |
| P1476 | title | Deep learning for computational chemistry | |
| P478 | volume | 38 |
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| Q89900229 | Dinucleoside polyphosphates act as 5'-RNA caps in bacteria |
| Q38617915 | Direct Learning Hidden Excited State Interaction Patterns from ab initio Dynamics and Its Implication as Alternative Molecular Mechanism Models. |
| Q64972663 | Drug Repurposing for Paracoccidioidomycosis Through a Computational Chemogenomics Framework. |
| Q94204611 | Efficient learning of non-autoregressive graph variational autoencoders for molecular graph generation |
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| Q64971074 | Integration of Random Forest Classifiers and Deep Convolutional Neural Networks for Classification and Biomolecular Modeling of Cancer Driver Mutations. |
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