Chemistry42: An AI-based platform for de novo molecular design
Fuente:
arXiv
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| Autori principali: | , , , , , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2021
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| Soggetti: | |
| Accesso online: | |
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| _version_ | 1866911050914332672 |
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| author | Ivanenkov, Yan A. Zhebrak, Alex Bezrukov, Dmitry Zagribelnyy, Bogdan Aladinskiy, Vladimir Polykovskiy, Daniil Lane, Eugene Kamya, Petrina Aliper, Alexander Zhavoronkov, Alex |
| author_facet | Ivanenkov, Yan A. Zhebrak, Alex Bezrukov, Dmitry Zagribelnyy, Bogdan Aladinskiy, Vladimir Polykovskiy, Daniil Lane, Eugene Kamya, Petrina Aliper, Alexander Zhavoronkov, Alex |
| contents | Chemistry42 is a software platform for de novo small molecule design that integrates Artificial Intelligence (AI) techniques with computational and medicinal chemistry methods. Chemistry42 is unique in its ability to generate novel molecular structures with predefined properties validated through in vitro and in vivo studies. Chemistry42 is a core component of Insilico Medicine Pharma.ai drug discovery suite that also includes target discovery and multi-omics data analysis (PandaOmics) and clinical trial outcomes predictions (InClinico). |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2101_09050 |
| institution | arXiv |
| publishDate | 2021 |
| record_format | arxiv |
| spellingShingle | Chemistry42: An AI-based platform for de novo molecular design Ivanenkov, Yan A. Zhebrak, Alex Bezrukov, Dmitry Zagribelnyy, Bogdan Aladinskiy, Vladimir Polykovskiy, Daniil Lane, Eugene Kamya, Petrina Aliper, Alexander Zhavoronkov, Alex Artificial Intelligence Biomolecules Chemistry42 is a software platform for de novo small molecule design that integrates Artificial Intelligence (AI) techniques with computational and medicinal chemistry methods. Chemistry42 is unique in its ability to generate novel molecular structures with predefined properties validated through in vitro and in vivo studies. Chemistry42 is a core component of Insilico Medicine Pharma.ai drug discovery suite that also includes target discovery and multi-omics data analysis (PandaOmics) and clinical trial outcomes predictions (InClinico). |
| title | Chemistry42: An AI-based platform for de novo molecular design |
| topic | Artificial Intelligence Biomolecules |
| url | https://arxiv.org/abs/2101.09050 |