Work

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

Year: 2021
Type: preprint
Abstract: 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).
Language: English
Open Access status: green
OpenAlex ID: W3125544422
Cites: 21
Cited by: 9
Related to: 10