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Part-IResults and Discussionattributes are computed. 57 A selective distance count statistic ‘XY2’ (e.g. ‘TOPO2N3)counts all the fragments between start atom with attribute ‘X’ (e.g. ‘2’ double bondedatom) and end atom with attribute ‘Y’ (e.g. ‘N’) separated by the graph distance 3. Thegraph distance can be defined as the smallest number of atoms along the path connectingtwo atoms in molecular structure. In this study to calculate AI descriptors, we have usedfollowing attributes: 2 (double bonded atom), C, N, O, S, Cl, and Br and the distancerange of 0 to 7.Table-12: List of the physicochemical descriptors available in the software.S. No. Descriptor S. No. Descriptor S. No. Descriptor1 Mol.Wt 44 chiV3Cluster 87 SdsCHcount2 Volume 45 3ClusterCount 88 SaaCHcount3 H-AcceptorCount 46 chi4pathCluster 89 SsssCHcount4 H-DonorCount 47 chiV4pathCluster 90 SddCcount5 RotatableBondCount 48 4pathClusterCount 91 StsCcount6 XlogP 49 kappa1 92 SdssCcount7 slogp 50 kappa2 93 SaasCcount8 clogP 51 kappa3 94 SaaaCcount9 logP 52 k1alpha 95 SssssCcount10 smr 53 k2alpha 96 SsNH3count11 polarizabilityAHC 54 k3alpha 97 SsNH2count12 polarizabilityAHP 55 HydrogensCount 98 SssNH2count13 chi0 56 CarbonsCount 99 SdNHcount14 chi1 57 SulfursCount 100 SssNHcount15 chi2 58 OxygensCount 101 SaaNHcount16 chi3 59 NitrogensCount 102 StNcount17 chi4 60 ChlorinesCount 103 SsssNHcount18 chi5 61 BrominesCount 104 SdsNcount19 chiV0 62 XcompDipole 105 SaaNcount20 chiV1 63 YcompDipole 106 SsssNcount21 chiV2 64 ZcompDipole 107 SddsN(nitro)count22 chiV3 65 DipoleMoment 108 SaasN(Noxide)count23 chiV4 66 Quadrupole1 109 SssssN(onium)count24 chiV5 67 Quadrupole2 110 SsOHcount25 0PathCount 68 Quadrupole3 111 SdOcount26 1PathCount 69 DistTopo 112 SssOcount27 2PathCount 70 ConnectivityIndex 113 SaaOcount28 3PathCount 71 WienerIndex 114 SsPH2count29 4PathCount 72 RadiusOfGyration 115 SssPHcount30 5PathCount 73 MomInertiaX 116 SsssPcount31 chi3chain 74 MomInertiaY 117 SdsssPcount32 chi4chain 75 MomInertiaZ 118 SsssssPcount33 chi5chain 76 BalabanIndexJ 119 SsSHcount34 chi6chain 77 BalabanB 120 SdScount35 chiV3chain 78 BalabanC 121 SssScount36 chiV4chain 79 BalabanQ 122 SaaScount37 chiV5chain 80 BalabanCdash 123 SdssS(sulfone)count38 chiV6chain 81 BalabanQdash 124 SddssS(sulfate)count39 3ChainCount 82 HosoyaIndex 125 SsClcount40 4ChainCount 83 SsCH3count 126 SsBrcount41 5ChainCount 84 SdCH2count 127 SsIcount42 6ChainCount 85 SssCH2count 128 SsFcount43 chi3Cluster 86 StCHcount 129 SsCH3E-index146