From: Designing of inhibitors against drug tolerant Mycobacterium tuberculosis (H37Rv)
Fragment number | Fragment/substructure name | Rep_dataset | NRep_dataset | ||
---|---|---|---|---|---|
 |  | FI# | FnonI## | FI# | FnonI## |
SubFP181 | Hetero_N_nonbasic | 1.15 | 0.74 | 1.03 | 0.96 |
SubFP275 | Heterocyclic | 1.03 | 0.94 | 1.00 | 1.00 |
SubFP85 | Carboxylic_ester | 1.14 | 0.76 | 0.97 | 1.03 |
SubFP180 | Hetero_N_basic_no_H | 1.18 | 0.68 | 0.95 | 1.07 |
SubFP182 | Hetero_O | 1.04 | 0.92 | 1.10 | 0.87 |
SubFP49 | Ketone | 0.97 | 1.06 | 1.13 | 0.83 |
SubFP32 | Secondary_mixed_amine | 1.00 | 1.01 | 1.28 | 0.64 |
SubFP135 | Vinylogous_carbonyl or carboxyl_derivative | 1.02 | 0.97 | 1.09 | 0.88 |
SubFP139 | Vinylogous_halide | 1.00 | 1.00 | 1.16 | 0.79 |
SubFP214 | Sulfonic_derivative | 0.95 | 1.09 | 0.68 | 1.41 |
SubFP143 | Carbonic_acid_derivatives | 0.95 | 1.08 | 0.80 | 1.27 |
SubFP65 | NOS_methylen_ester_and_similar | 0.41 | 2.03 | 1.38 | 0.51 |
SubFP23 | Amine | 0.92 | 1.14 | 0.70 | 1.39 |
SubFP3 | Tertiary_carbon | 0.80 | 1.35 | 0.90 | 1.13 |
SubFP20 | Alkylarylthioether | 0.69 | 1.55 | 0.79 | 1.27 |
SubFP103 | Alkyl_imide | 0.30 | 2.22 | 0.43 | 1.74 |
SubFP2 | Secondary_carbon | 0.88 | 1.21 | 0.93 | 1.09 |
SubFP188 | Nitro | 1.23 | 0.60 | 1.14 | 0.82 |
SubFP6 | Alkyne | 1.08 | 0.86 | 1.66 | 0.14 |
SubFP76 | Enamine | 1.13 | 0.78 | 1.39 | 0.49 |