Dataset
Dataset: supplementary_table_s1_with_smiles_final.xlsx, 103.8 KB
Access Condition: Open access
Description:
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 (English)

Dataset: supplementary_table_s2_with_smiles_final.xlsx, 41.27 KB
Access Condition: Open access
Description:
The phytotoxic natural products with SMILES, simple molecular properties as well as predicted modes of action and weed selectivity classes (English)

Documentation: data_explanation.pdf, 109.36 KB
Access Condition: Open access
Description:
Explanation of columns (English)

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Cite this document

Stepanić, V., Oršolić, D. & Šmuc, T. (2023). Data from: Comprehensive machine learning based study of the chemical space of herbicides [Data set]. 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 May 2024. https://urn.nsk.hr/urn:nbn:hr:241:056193.

Stepanić, Višnja, Davor Oršolić, and 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. and Šmuc, T. 2023. Data from: Comprehensive machine learning based study of the chemical space of herbicides. Institut Ruđer Bošković. [Online]. [Accessed 10 May 2024]. Available from: 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, [cited 2024 May 10] Available from: https://urn.nsk.hr/urn:nbn:hr:241:056193.

V. Stepanić, D. Oršolić and T. Šmuc, Data from: Comprehensive machine learning based study of the chemical space of herbicides, Institut Ruđer Bošković, 2023. Accessed on: May 10, 2024. Available: https://urn.nsk.hr/urn:nbn:hr:241:056193.