ORCOD
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| Developer(s) | ORCOD Chemistry |
|---|---|
| Initial release | 2021 |
| Repository |
|
| Engine | |
| Operating system | Microsoft Windows |
| Type | Scientific |
| License | Proprietary software |
| Website | https://www.orcodchemistry.com |
ORCOD is a chemoinformatics[1][2][3] software that provides an integrated scientific framework to chemistry professionals (and related disciplines) by means of artificial intelligence (AI) techniques and automation algorithms.[4][5] It especially focuses on simulating organic reactions, predicting molecular properties, extracting statistics and preparing synthetic routes, as well as other common tasks in the chemistry lab.
The program was created in 2015 and is currently owned by ORCOD Chemistry. It is distributed online under commercial licenses to be downloaded and run under Microsoft Windows operating system.
Features[edit]
The working methodology proposed by ORCOD consists in generating the chemical information (either through simulations, experimental tests, theoretical designs or literature sources), saving it into schemes and, finally, analyzing and summarizing such information in terms of synthetic routes, statistics, comparisons and consultations.
Some of the tools provided by ORCOD consist in:
- Simulation of organic reactions
- Prediction of molecular properties
- Optimization of reaction conditions
- Automated statistical analyses extraction
- Preparation of synthetic strategies
- Management of reactions, compounds and models
- Digitalization of experimental records (electronic lab notebook)
- Automated writing of experimental procedures
- Literature citation
- Management and consultation of compounds and reactions databases
- Optimization and use of calibration models
- Other more specific tools
The user can store the work in ORCOD schemes (with the *.orc extension) or export it as worksheets (xlsx format) or printable reports (pdf format).
Applications[edit]
ORCOD is used by a diverse chemical professionals, especially those devoted to pharma, biotech, engineering, petrochemistry, flavors, agrochemistry and energy, among others. The software is intended to assist in research tasks, projects management, process design, scientific publication and education. Even though the software was originally devised for chemists, it is currently being used in some related disciplines, including engineering, biology, geology, physics or medicine.
References[edit]
- ↑ Engel, Thomas (2006-11-01). "Basic Overview of Chemoinformatics". Journal of Chemical Information and Modeling. 46 (6): 2267–2277. doi:10.1021/ci600234z. ISSN 1549-9596. PMID 17125169.
- ↑ Chemoinformatics : theory, practice, & products. Barry A. Bunin. Dordrecht: Springer. 2007. ISBN 978-1-4020-5000-8. OCLC 84910347. Search this book on
- ↑ Martin, Yvonne Connolly (2010). Quantitative drug design : a critical introduction (2nd ed.). Boca Raton: CRC Press/Taylor & Francis. ISBN 978-1-4200-7099-6. OCLC 166872519. Search this book on
- ↑ "AI for chemistry". ChemIntelligence. Retrieved 2022-01-08.
- ↑ Choudhary, Neeru; Bharti, Ruchi; Sharma, Renu (2022). "Role of artificial intelligence in chemistry". Materials Today: Proceedings. 48: 1527–1533. doi:10.1016/j.matpr.2021.09.428. Unknown parameter
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See also[edit]
External links[edit]
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