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  • QSAR Models For Inhibitor of Physiological Impact of Escherichia Coli That Leads To Diarrhea

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    Kiki Griya Penganten
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    This document contains a table summarizing the results of QSAR models for potential inhibitors of Escherichia coli, which causes diarrhea. The table includes the student names and identifiers of 22 potential inhibitors, along with their calculated electronic energies, thermal energies, highest occupied molecular orbital energies, lowest unoccupied molecular orbital energies, entropies, partition coefficients, Hartree-Fock energies, and dipole moments. It also includes calculated inhibition constants (IC50) and log inhibition constants for comparison to physiological effects.

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    Data Hksa g7 Rekap

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    This document contains a table summarizing the results of QSAR models for potential inhibitors of Escherichia coli, which causes diarrhea. The table includes the student names and identifiers of 22 potential inhibitors, along with their calculated electronic energies, thermal energies, highest occupied molecular orbital energies, lowest unoccupied molecular orbital energies, entropies, partition coefficients, Hartree-Fock energies, and dipole moments. It also includes calculated inhibition constants (IC50) and log inhibition constants for comparison to physiological effects.

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    7 views3 pages

    QSAR Models For Inhibitor of Physiological Impact of Escherichia Coli That Leads To Diarrhea

    Uploaded by

    Kiki Griya Penganten
    This document contains a table summarizing the results of QSAR models for potential inhibitors of Escherichia coli, which causes diarrhea. The table includes the student names and identifiers of 22 potential inhibitors, along with their calculated electronic energies, thermal energies, highest occupied molecular orbital energies, lowest unoccupied molecular orbital energies, entropies, partition coefficients, Hartree-Fock energies, and dipole moments. It also includes calculated inhibition constants (IC50) and log inhibition constants for comparison to physiological effects.

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    QSAR models for inhibitor of physiological impact of Escherichia coli that leads to diarrhea

    Gelombang ke- : Gelombang 7


    NPM Nama Mahasiswa No Senyawa (jurnal) E_ele E_thermal
    11161151 M Rizqi Eka P 1 -0.26410064 218.559
    11161152 Nabilah Gumayah 3 -0.0293506 235.72
    11161153 Natasya Rizkiyan 5 -0.065219 243.721
    11161154 Nia Aprilia 6 -0.02577371 217.587
    11161155 Nina Marlina 7 -0.1018955 224.057
    11161157 Nurani Eka G 17 -0.09730833 231.605
    11161159 Pricella Fadhila 18 -0.39179 250.459
    11161160 Randi Antami Z.P 19 -0.15936917 227.348
    11161161 Reformia A 20 0.09564601 241.444
    11161162 Resti Mirna 21 -0.20464299 246.764
    11161163 Restika Hati T 22 -0.26750171 242.565
    11161166 Rita Nofera 24 -0.46085518 234.567
    11161167 Robecca Saurlina 25 -0.47132363 216.344
    11161169 Siti Nurjanah 32 -0.48185842 297.264
    11161172 Triandi wira VI a 0.09356566 285.7
    HOMO LUMO Entropi LogP HF MR MomenDipole
    -0.32745 -0.01057 185.284 0.09 -154.8 122.99 6.3595
    -0.32145 -0.05378 161.815 1.57 -31.53 105.5 3.9761
    -0.28059 -0.03434 141.332 0.64 -178.57 108.73 2.2216
    -0.0265 -0.33123 163.243 0.89 36.09 95.8 6.4872
    -0.31307 -0.04828 207.843 1.3 -362.62 111.13 6.2062
    0.33209 0.05363 166.379 2.41 -239.11 105.96 8.3032
    -0.3258 -0.05439 177.122 2.9 -271.22 111.86 9.3121
    -0.32879 -0.05186 172.65 0.39 -491.63 46.62 10.3647
    -0.33218 -0.05422 171.972 2.13 308.82 111.25 10.6279
    -0.33141 -0.05296 185.654 3.02 -453.14 111.66 6.3531
    -0.32867 -0.05152 191.162 3.17 -660.72 112.06 5.7675
    -0.01935 -0.0152 199.243 3.7 -1082.33 118.16 9.3159
    -0.33059 -0.05361 189.34 3.47 -1098.3 108.16 9.7385
    -0.32618 -0.0361 228.172 4.14 -1192.11 129.73 7.1127
    0.31441 0.05121 192.246 1.92 186.23 119.01 8.9751
    LogS Entalpi IC50 LogIC50
    0.672345 2.596478611 51.672 0.692053365
    -5.313 0.3472364 51.762 1.714
    -5.07608 1.41307 43.06 1.63407
    -3.872 0.64673329 63.739 1.804405246
    -4.472 0.5838615 44.848 1.65174
    -5.59497 0.37003 57.95 1.763
    -5.794 0.00828526 64.138 1.8071
    0.3651 -0.20387683 57.95 1.763053
    -5.149 0.48135501 55.267 1.742465891
    -6.069 0.394187 65.927 1.819063314
    -6.329 0.387496 65.927 1.819063
    -7.084 0.6179943 86.281 1.9359
    -7.09 -0.12561363 70.327 1.847122092
    -5.59479 -0.007193 21.232 1.3269
    5.239 0.361985 46.637 1.6687

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