The DOI matches its Crossref record.
Chematica: A Story of Computer Code That Started to Think like a Chemist
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Artificial intelligence: A powerful paradigm for scientific research
Xu, Y., Liu, X., Cao, X., Huang, C., Liu, E., Qian, S., Liu, X., Wu, Y., Dong, F., Qiu, C.-W., et al. (2021) · The Innovation · doi:10.1016/j.xinn.2021.100179 · Cited by 1,726
Artificial intelligence in drug discovery and development
Paul, D., Sanap, G., Shenoy, S., Kalyane, D., Kalia, K., & Tekade, R. K. (2021) · Drug Discovery Today · doi:10.1016/j.drudis.2020.10.010 · Cited by 1,695
“Grzybowski et al. developed the Chematica program [74], now renamed Synthia, which has the ability to encode a set of rules into the machine and propose possible synthesizing routes for eight medicinally essential targets.”
Artificial intelligence to deep learning: machine intelligence approach for drug discovery
Gupta, R., Srivastava, D., Sahu, M., Tiwari, S., Ambasta, R. K., & Kumar, P. (2021) · Molecular Diversity · doi:10.1007/s11030-021-10217-3 · Cited by 1,473
Molecular Transformer: A Model for Uncertainty-Calibrated Chemical Reaction Prediction
Schwaller, P., Laino, T., Gaudin, T., Bolgar, P., Hunter, C. A., Bekas, C., & Lee, A. A. (2019) · ACS Central Science · doi:10.1021/acscentsci.9b00576 · Cited by 1,163
Muratov, E. N., Bajorath, J., Sheridan, R. P., Tetko, I. V., Filimonov, D., Poroikov, V., Oprea, T. I., Baskin, I. I., Varnek, A., Roitberg, A., et al. (2020) · Chemical Society Reviews · doi:10.1039/d0cs00098a · Cited by 913
Metadata
- Authors
- Grzybowski, B. A., Szymkuć, S., Gajewska, E. P., Molga, K., Dittwald, P., Wołos, A., & Klucznik, T.
- Venue
- Chem
- Publisher
- Elsevier BV
- Published
- 2018-03
- Volume
- 4
- Issue
- 3
- Pages
- 390-398
- ISSN
- 2451-9294 (ISSN-L)
- OpenAlex
- W2789913372
- Cited by
- 114
- References
- 0
- Citations by year
- 2026: 11 · 2025: 12 · 2024: 19 · 2023: 32 · 2022: 7 · 2021: 15 · 2020: 11 · 2019: 7
- FWCI
- 6.17
- Type
- journal article
- Language
- en
- Open access
- bronze
- doi.org
- Licence
- Locations
- Chem (publishedVersion)
- Scholarworks@UNIST (Ulsan National Institute of Science and Technology) (submittedVersion)
- Funders
- Defense Advanced Research Projects Agency
- Topics
- Life Sciences › Pharmacology, Toxicology and Pharmaceutics › Drug Discovery › Computational Drug Discovery Methods
- Physical Sciences › Computer Science › Artificial Intelligence › AI-based Problem Solving and Planning
- Physical Sciences › Materials Science › Materials Chemistry › Machine Learning in Materials Science
- Keywords
- cheminformatics software, artificial intelligence in chemistry, retrosynthesis
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Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
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