The DOI matches its OpenAlex record; 6 of the 6 references it cites were found in a registry or an index.
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.
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Citations
Cites
Efficient Global Optimization of Expensive Black-Box Functions
Jones, D. R., Schonlau, M., & Welch, W. J. (1998) · Journal of Global Optimization · doi:10.1023/a:1008306431147 · Cited by 8,070
Practical Bayesian Optimization of Machine Learning Algorithms
Snoek, J., Larochelle, H., & Adams, R. P. (2012) · arXiv · doi:10.48550/arxiv.1206.2944 · Cited by 6,691
Self-citationWaveNet: a generative model for raw audio
Oord, A. V. D., Dieleman, S., Zen, H., Simonyan, K., Vinyals, O., Graves, A., Kalchbrenner, N., Senior, A., & Kavukcuoglu, K. (2016) · arXiv · doi:10.48550/arxiv.1609.03499 · Cited by 4,911
MoleculeNet: a benchmark for molecular machine learning
Wu, Z., Ramsundar, B., Feinberg, E. N., Gomes, J., Geniesse, C., Pappu, A. S., Leswing, K., & Pande, V. (2018) · Chemical Science · doi:10.1039/c7sc02664a · Cited by 3,107
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
Rupp, M., Tkatchenko, A., Müller, K.-R., & von Lilienfeld, O. A. (2012) · Physical Review Letters · doi:10.1103/physrevlett.108.058301 · Cited by 2,312
Gómez-Bombarelli, R., Aguilera-Iparraguirre, J., Hirzel, T. D., Duvenaud, D., Maclaurin, D., Blood-Forsythe, M. A., Chae, H. S., Einzinger, M., Ha, D.-G., Wu, T., et al. (2016) · Nature Materials · doi:10.1038/nmat4717 · Cited by 1,060
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Cited by
An Introduction to Variational Autoencoders
Kingma, D. P., & Welling, M. (2019) · Foundations and Trends® in Machine Learning · doi:10.1561/2200000056 · Cited by 2,609
Analyzing Learned Molecular Representations for Property Prediction
Yang, K., Swanson, K., Jin, W., Coley, C., Eiden, P., Gao, H., Guzman-Perez, A., Hopper, T., Kelley, B., Mathea, M., et al. (2019) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.9b00237 · Cited by 1,923
The rise of deep learning in drug discovery
Chen, H., Engkvist, O., Wang, Y., Olivecrona, M., & Blaschke, T. (2018) · Drug Discovery Today · doi:10.1016/j.drudis.2018.01.039 · Cited by 1,770
Deep learning enables rapid identification of potent DDR1 kinase inhibitors
Zhavoronkov, A., Ivanenkov, Y. A., Aliper, A., Veselov, M. S., Aladinskiy, V. A., Aladinskaya, A. V., Terentiev, V. A., Polykovskiy, D. A., Kuznetsov, M. D., Asadulaev, A., et al. (2019) · Nature Biotechnology · doi:10.1038/s41587-019-0224-x · Cited by 1,573
Self-citationGenerating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks
Segler, M. H. S., Kogej, T., Tyrchan, C., & Waller, M. P. (2018) · ACS Central Science · doi:10.1021/acscentsci.7b00512 · Cited by 1,537
Metadata
- Authors
- Gómez‐Bombarelli, R., Wei, J. N., Duvenaud, D., Hernández-Lobato, J. M., Sánchez-Lengeling, B., Sheberla, D., Aguilera‐Iparraguirre, J., Hirzel, T. D., Adams, R. P., & Aspuru‐Guzik, A.
- Venue
- Cambridge University Engineering Department Publications Database
- Published
- 2018-02-28
- OpenAlex
- W3098269892
- Cited by
- 1,703
- References
- 6
- FWCI
- 200.08
- Type
- journal article
- Language
- en
- Open access
- green
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- CoChat. (2026). Citation check: Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules. https://app.cochat.ai/papers/10.17863/cam.34134
- The paper
- Gómez‐Bombarelli, R., Wei, J. N., Duvenaud, D., Hernández-Lobato, J. M., Sánchez-Lengeling, B., Sheberla, D., Aguilera‐Iparraguirre, J., Hirzel, T. D., Adams, R. P., & Aspuru‐Guzik, A. (2018). Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules. Cambridge University Engineering Department Publications Database. https://doi.org/10.17863/cam.34134
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
