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Title: Provide interface and prediction capabilities to QSUR 2017 models
Version: 0.0.0.9000
Authors@R:
person("Katherine", "Phillips", , "[email protected]", role = c("aut", "cre"),
comment = c(ORCID = "0000-0001-5703-0698"))
Description: Encapsulates the quantitative structure-use relationship models developed in *High-throughput screening of chemicals as functional substitutes using structure-based classification models* (DOI: https://doi.org/10.1039/c6gc02744j) along with the capabilities to load new external chemicals for prediction and use the models themeselves for predicting.