Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

doi:doi:10.57702/fziviskk

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

A dataset for automatic chemical design using a data-driven continuous representation of molecules.

BibTex:

@dataset{Rafael_Gómez-Bombarelli_and_Jennifer_N_Wei_and_David_Duvenaud_and_José_Miguel_Hernández-Lobato_and_Benjamín_Sánchez-Lengeling_and_Dennis_Sheberla_and_Jorge_Aguilera-Iparraguirre_and_Timothy_D_Hirzel_and_Ryan_P_Adams_and_Alán_Aspuru-Guzik_2024,
    abstract = {A dataset for automatic chemical design using a data-driven continuous representation of molecules.},
    author = {Rafael Gómez-Bombarelli and Jennifer N. Wei and David Duvenaud and José Miguel Hernández-Lobato and Benjamín Sánchez-Lengeling and Dennis Sheberla and Jorge Aguilera-Iparraguirre and Timothy D. Hirzel and Ryan P. Adams and Alán Aspuru-Guzik},
    doi = {10.57702/fziviskk},
    institution = {No Organization},
    keyword = {'Chemical Design', 'Continuous Representation', 'Data-Driven', 'Machine Learning'},
    month = {dec},
    publisher = {TIB},
    title = {Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules},
    url = {https://service.tib.eu/ldmservice/dataset/automatic-chemical-design-using-a-data-driven-continuous-representation-of-molecules},
    year = {2024}
}