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arxiv 2101.09050 v1 pith:74EBXGGP submitted 2021-01-22 cs.AI q-bio.BM

Chemistry42: An AI-based platform for de novo molecular design

Yan A. Ivanenkov , Alex Zhebrak , Dmitry Bezrukov , Bogdan Zagribelnyy , Vladimir Aladinskiy , Daniil Polykovskiy , Eugene Lane , Petrina Kamya
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Alexander Aliper Alex Zhavoronkov
This is my paper
classification cs.AI q-bio.BM
keywords chemistry42designdiscoverymolecularnovoplatformabilityai-based
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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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).

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