Skup podataka
Skup podataka: supplementary_table_s1_with_smiles_final.xlsx, 103.8 KB
Pravo pristupa: Otvoren pristup
Opis datoteke:
The synthetic organic herbicides with SMILES, simple molecular properties as well as assigned (legacy HRAC) and predicted modes of action and weed selectivity classes, plus applicability domain classes (engleski)

Skup podataka: supplementary_table_s2_with_smiles_final.xlsx, 41.27 KB
Pravo pristupa: Otvoren pristup
Opis datoteke:
The phytotoxic natural products with SMILES, simple molecular properties as well as predicted modes of action and weed selectivity classes (engleski)

Dokumentacija: data_explanation.pdf, 109.36 KB
Pravo pristupa: Otvoren pristup
Opis datoteke:
Explanation of columns (engleski)

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Stepanić, V., Oršolić, D. i Šmuc, T. (2023). Data from: Comprehensive machine learning based study of the chemical space of herbicides [Skup podataka]. https://urn.nsk.hr/urn:nbn:hr:241:056193.

Stepanić, Višnja, et al. Data from: Comprehensive machine learning based study of the chemical space of herbicides. Institut Ruđer Bošković, 2023. 10.05.2024. https://urn.nsk.hr/urn:nbn:hr:241:056193.

Stepanić, Višnja, Davor Oršolić, i Tomislav Šmuc. 2023. Data from: Comprehensive machine learning based study of the chemical space of herbicides. Institut Ruđer Bošković. https://urn.nsk.hr/urn:nbn:hr:241:056193.

Stepanić, V., Oršolić, D. i Šmuc, T. 2023. Data from: Comprehensive machine learning based study of the chemical space of herbicides. Institut Ruđer Bošković. [Online]. [Citirano 10.05.2024.]. Preuzeto s: https://urn.nsk.hr/urn:nbn:hr:241:056193.

Stepanić V, Oršolić D, Šmuc T. Data from: Comprehensive machine learning based study of the chemical space of herbicides. [Internet]. Institut Ruđer Bošković: Zagreb, Bijenička 54, HR; 2023, [pristupljeno 10.05.2024.] Dostupno na: https://urn.nsk.hr/urn:nbn:hr:241:056193.

V. Stepanić, D. Oršolić i T. Šmuc, Data from: Comprehensive machine learning based study of the chemical space of herbicides, Institut Ruđer Bošković, 2023. Citirano: 10.05.2024. Dostupno na: https://urn.nsk.hr/urn:nbn:hr:241:056193.