Dataset: Antimalarial Activity Prediction

About this Dataset

Antimalarial Activity Prediction

Context

ChEMBL data for drugs and nanoparticle descriptors with antimalarial activity has been used to create Machine Learning models for antimalarial activity prediction

Acknowledgements

Munteanu, Cristian (2019), “Molecular descriptors for antimalaria Drug-Decorated Nanoparticles”, Mendeley Data, V1, doi: 10.17632/bc5dgf4xdf.1

Tables

Ds Raw

@kaggle.saurabhshahane_antimalaria_activity_prediction.ds_raw

10.73 MB
249992 rows
108 columns


CREATE TABLE ds_raw (
  "class" BIGINT,
  "prob" DOUBLE,
  "np_dnmunp_c0" DOUBLE,
  "np_dlnp_c0" DOUBLE,
  "np_dvnpu_c0" DOUBLE,
  "np_denpu_c0" DOUBLE,
  "np_dpnpu_c0" DOUBLE,
  "np_duccoat_c0" DOUBLE,
  "np_duicoat_c0" DOUBLE,
  "np_dhycoat_c0" DOUBLE,
  "np_damrcoat_c0" DOUBLE,
  "np_dtpsa_no_coat_c0" DOUBLE,
  "np_dtpsa_tot_coat_c0" DOUBLE,
  "np_dalogpcoat_c0" DOUBLE,
  "np_dalogp2coat_c0" DOUBLE,
  "np_dsatotcoat_c0" DOUBLE,
  "np_dsaacccoat_c0" DOUBLE,
  "np_dsadoncoat_c0" DOUBLE,
  "np_dvxcoat_c0" DOUBLE,
  "np_dvvdwmgcoat_c0" DOUBLE,
  "np_dvvdwzazcoat_c0" DOUBLE,
  "np_dpdicoat_c0" DOUBLE,
  "np_dnmunp_c1" DOUBLE,
  "np_dlnp_c1" DOUBLE,
  "np_dvnpu_c1" DOUBLE,
  "np_denpu_c1" DOUBLE,
  "np_dpnpu_c1" DOUBLE,
  "np_duccoat_c1" DOUBLE,
  "np_duicoat_c1" DOUBLE,
  "np_dhycoat_c1" DOUBLE,
  "np_damrcoat_c1" DOUBLE,
  "np_dtpsa_no_coat_c1" DOUBLE,
  "np_dtpsa_tot_coat_c1" DOUBLE,
  "np_dalogpcoat_c1" DOUBLE,
  "np_dalogp2coat_c1" DOUBLE,
  "np_dsatotcoat_c1" DOUBLE,
  "np_dsaacccoat_c1" DOUBLE,
  "np_dsadoncoat_c1" DOUBLE,
  "np_dvxcoat_c1" DOUBLE,
  "np_dvvdwmgcoat_c1" DOUBLE,
  "np_dvvdwzazcoat_c1" DOUBLE,
  "np_dpdicoat_c1" DOUBLE,
  "np_dnmunp_c2" DOUBLE,
  "np_dlnp_c2" DOUBLE,
  "np_dvnpu_c2" DOUBLE,
  "np_denpu_c2" DOUBLE,
  "np_dpnpu_c2" DOUBLE,
  "np_duccoat_c2" DOUBLE,
  "np_duicoat_c2" DOUBLE,
  "np_dhycoat_c2" DOUBLE,
  "np_damrcoat_c2" DOUBLE,
  "np_dtpsa_no_coat_c2" DOUBLE,
  "np_dtpsa_tot_coat_c2" DOUBLE,
  "np_dalogpcoat_c2" DOUBLE,
  "np_dalogp2coat_c2" DOUBLE,
  "np_dsatotcoat_c2" DOUBLE,
  "np_dsaacccoat_c2" DOUBLE,
  "np_dsadoncoat_c2" DOUBLE,
  "np_dvxcoat_c2" DOUBLE,
  "np_dvvdwmgcoat_c2" DOUBLE,
  "np_dvvdwzazcoat_c2" DOUBLE,
  "np_dpdicoat_c2" DOUBLE,
  "np_dnmunp_c3" DOUBLE,
  "np_dlnp_c3" DOUBLE,
  "np_dvnpu_c3" DOUBLE,
  "np_denpu_c3" DOUBLE,
  "np_dpnpu_c3" DOUBLE,
  "np_duccoat_c3" DOUBLE,
  "np_duicoat_c3" DOUBLE,
  "np_dhycoat_c3" DOUBLE,
  "np_damrcoat_c3" DOUBLE,
  "np_dtpsa_no_coat_c3" DOUBLE,
  "np_dtpsa_tot_coat_c3" DOUBLE,
  "np_dalogpcoat_c3" DOUBLE,
  "np_dalogp2coat_c3" DOUBLE,
  "np_dsatotcoat_c3" DOUBLE,
  "np_dsaacccoat_c3" DOUBLE,
  "np_dsadoncoat_c3" DOUBLE,
  "np_dvxcoat_c3" DOUBLE,
  "np_dvvdwmgcoat_c3" DOUBLE,
  "np_dvvdwzazcoat_c3" DOUBLE,
  "np_dpdicoat_c3" DOUBLE,
  "np_dnmunp_c4" DOUBLE,
  "np_dlnp_c4" DOUBLE,
  "np_dvnpu_c4" DOUBLE,
  "np_denpu_c4" DOUBLE,
  "np_dpnpu_c4" DOUBLE,
  "d_dmw_c0" DOUBLE,
  "d_dalogp_c0" DOUBLE,
  "d_dpsa_c0" DOUBLE,
  "d_dmw_c1" DOUBLE,
  "d_dalogp_c1" DOUBLE,
  "d_dpsa_c1" DOUBLE,
  "d_dmw_c2" DOUBLE,
  "d_dalogp_c2" DOUBLE,
  "d_dpsa_c2" DOUBLE,
  "d_dmw_c3" DOUBLE,
  "d_dalogp_c3" DOUBLE,
  "d_dpsa_c3" DOUBLE,
  "d_dmw_c4" DOUBLE
);