AlvaBuilder is a software tool for de novo molecular design (Mauri, A., Bertola, M. (2023). AlvaBuilder: A Software for De Novo Molecular Design. https://doi.org/10.1021/acs.jcim.3c00610; Mauri, A., Bertola, M. (2022). De novo molecular design with genetic algorithms using alvaBuilder. ACS Fall 2022. https://doi.org/10.1021/scimeetings.2c00526). With its simple interface, it can be used to generate novel molecules having a desirable set of properties starting from a training set of your choice.

Full details are here https://www.alvascience.com/alvabuilder/

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