Information
Last Update:2024/07/18
Official site
License
MIT + file LICENSE
Availability | R language |
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Core Developers | Hisaki Ikebata, Guillaume Lambard, Ryo Yoshida |
Other |
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Inquiry / Application Requestisqpr is an R package to find candidate molecules that has your desired chemical structures and chemical properties. SMILES (Simplified Molecular Input Line Entry Specification Syntax) is employed to represent chemical structures. To find candidate molecules, sequential Monte Carlo method generates new molecules, whose chemical properties are predicted by machine learning techniques.
MIT + file LICENSE
Availability | R language |
---|---|
Core Developers | Hisaki Ikebata, Guillaume Lambard, Ryo Yoshida |
Other |
|