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Volume 29, Issue 4
Greener chemicals for the future: QSAR m ....

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SAR and QSAR in Environmental Research Volume 29, 2018 - Issue 4

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Greener chemicals for the future: QSAR modelling of the PBT index using ETA descriptors

P. DeDrug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata700 032, India

K. RoyDrug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata700 032, IndiaCorrespondence[email protected] [email protected]

Pages 319-337 | Received 14 Nov 2017, Accepted 29 Jan 2018, Published online: 19 Feb 2018

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https://doi.org/10.1080/1062936X.2018.1436086
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Greener chemicals for the future: QSAR modelling of the PBT index using ETA descriptors

Source: Figshare

Greener chemicals for the future: QSAR modelling of the PBT index using ETA descriptors

Source: Figshare

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Greener chemicals for the future: QSAR modelling of the PBT index using ETA descriptors

Supplementary Figures

Supplementary Tables

TableXS1 K-MEDOIDS DIVISION 180compds

TableXS2 KENNARD STONE 180compds

TableXS3 EUCLIDEAN DIVISION 180compds

TableXS4 SORTED RESPONSE BASED 180compds

TableXS5 predicted values for 1267 pharmaceuticals

TableXS6 AD for Pharmaceuticals

TableXS7 predicted values for synthetic compounds

TableXS8 consensus 50 high PBT synthetic_ compounds

TableXS9 AD for Synthetic Compounds

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