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| Cheminformatic Tools and Databases for Pharmacology | ||||
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Framework analysis of results 1) Bioisostere 1 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 1 2) cluster-1.sdf 2) Bioisostere 3 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 3) cluster-2.sdf 3) Bioisostere 4 is the representative of the cluster containing 58 molecules with same framework (list of bioisosteres: 4 5 8 9 11 18 22 26 27 30 32 33 41 46 50 52 53 55 56 57 62 71 77 82 87 88 92 99 107 112 117 118 121 125 126 128 129 131 133 135 137 140 141 149 158 160 169 171 177 179 185 188 192 196 199 212 216 222) cluster-3.sdf 4) Bioisostere 6 is the representative of the cluster containing 48 molecules with same framework (list of bioisosteres: 6 25 28 34 44 49 51 60 66 70 72 75 78 84 85 90 95 97 101 102 108 111 130 132 134 136 138 139 142 143 145 146 147 156 159 167 168 172 181 183 187 205 213 214 223 227 228 229) cluster-4.sdf 5) Bioisostere 7 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 7) cluster-5.sdf 6) Bioisostere 10 is the representative of the cluster containing 3 molecules with same framework (list of bioisosteres: 10 89 195) cluster-6.sdf 7) Bioisostere 12 is the representative of the cluster containing 4 molecules with same framework (list of bioisosteres: 12 65 174 221) cluster-7.sdf 8) Bioisostere 13 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 13 35) cluster-8.sdf 9) Bioisostere 14 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 14) cluster-9.sdf 10) Bioisostere 15 is the representative of the cluster containing 27 molecules with same framework (list of bioisosteres: 15 16 23 43 47 63 67 68 74 83 106 110 115 116 144 150 151 166 191 197 201 206 211 215 217 219 220) cluster-10.sdf 11) Bioisostere 17 is the representative of the cluster containing 4 molecules with same framework (list of bioisosteres: 17 31 80 200) cluster-11.sdf 12) Bioisostere 19 is the representative of the cluster containing 9 molecules with same framework (list of bioisosteres: 19 20 24 36 93 98 173 176 225) cluster-12.sdf 13) Bioisostere 21 is the representative of the cluster containing 6 molecules with same framework (list of bioisosteres: 21 38 61 104 123 175) cluster-13.sdf 14) Bioisostere 29 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 29) cluster-14.sdf 15) Bioisostere 37 is the representative of the cluster containing 9 molecules with same framework (list of bioisosteres: 37 39 81 109 114 198 204 208 218) cluster-15.sdf 16) Bioisostere 40 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 40) cluster-16.sdf 17) Bioisostere 42 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 42) cluster-17.sdf 18) Bioisostere 45 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 45) cluster-18.sdf 19) Bioisostere 48 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 48 203) cluster-19.sdf 20) Bioisostere 54 is the representative of the cluster containing 3 molecules with same framework (list of bioisosteres: 54 96 182) (framework is too small to sketch) cluster-20.sdf 21) Bioisostere 58 is the representative of the cluster containing 3 molecules with same framework (list of bioisosteres: 58 122 157) cluster-21.sdf 22) Bioisostere 59 is the representative of the cluster containing 6 molecules with same framework (list of bioisosteres: 59 91 162 190 207 226) cluster-22.sdf 23) Bioisostere 64 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 64) cluster-23.sdf 24) Bioisostere 69 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 69) cluster-24.sdf 25) Bioisostere 73 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 73) cluster-25.sdf 26) Bioisostere 76 is the representative of the cluster containing 3 molecules with same framework (list of bioisosteres: 76 154 210) cluster-26.sdf 27) Bioisostere 79 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 79) cluster-27.sdf 28) Bioisostere 86 is the representative of the cluster containing 3 molecules with same framework (list of bioisosteres: 86 100 163) cluster-28.sdf 29) Bioisostere 94 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 94) cluster-29.sdf 30) Bioisostere 103 is the representative of the cluster containing 3 molecules with same framework (list of bioisosteres: 103 119 202) cluster-30.sdf 31) Bioisostere 105 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 105) cluster-31.sdf 32) Bioisostere 113 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 113) cluster-32.sdf 33) Bioisostere 120 is the representative of the cluster containing 3 molecules with same framework (list of bioisosteres: 120 161 165) cluster-33.sdf 34) Bioisostere 124 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 124) cluster-34.sdf 35) Bioisostere 127 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 127) cluster-35.sdf 36) Bioisostere 148 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 148) cluster-36.sdf 37) Bioisostere 152 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 152) cluster-37.sdf 38) Bioisostere 153 is the representative of the cluster containing 4 molecules with same framework (list of bioisosteres: 153 164 178 180) cluster-38.sdf 39) Bioisostere 155 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 155) cluster-39.sdf 40) Bioisostere 170 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 170) cluster-40.sdf 41) Bioisostere 184 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 184) cluster-41.sdf 42) Bioisostere 186 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 186) cluster-42.sdf 43) Bioisostere 189 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 189) cluster-43.sdf 44) Bioisostere 193 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 193) cluster-44.sdf 45) Bioisostere 194 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 194) cluster-45.sdf 46) Bioisostere 209 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 209) cluster-46.sdf 47) Bioisostere 224 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 224) cluster-47.sdf
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