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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 26 molecules with same framework (list of bioisosteres: 1 2 3 8 10 11 44 47 49 90 100 102 107 124 133 135 137 145 203 235 322 479 506 536 543 620) cluster-1.sdf 2) Bioisostere 4 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 4 17) cluster-2.sdf 3) Bioisostere 5 is the representative of the cluster containing 10 molecules with same framework (list of bioisosteres: 5 138 202 288 335 343 347 437 447 639) cluster-3.sdf 4) Bioisostere 6 is the representative of the cluster containing 14 molecules with same framework (list of bioisosteres: 6 7 29 33 36 70 105 182 205 408 423 535 551 567) cluster-4.sdf 5) Bioisostere 9 is the representative of the cluster containing 55 molecules with same framework (list of bioisosteres: 9 12 13 14 18 20 23 25 26 41 77 78 87 92 94 109 111 127 132 153 169 171 175 211 214 222 238 240 254 255 256 263 284 298 306 316 320 330 346 358 362 366 381 392 411 419 421 440 449 465 503 523 537 552 682) cluster-5.sdf 6) Bioisostere 15 is the representative of the cluster containing 6 molecules with same framework (list of bioisosteres: 15 42 58 69 213 324) cluster-6.sdf 7) Bioisostere 16 is the representative of the cluster containing 82 molecules with same framework (list of bioisosteres: 16 19 27 30 38 43 45 53 55 60 61 67 73 82 88 97 99 113 134 150 157 163 164 170 174 183 187 190 192 195 201 219 223 226 233 239 242 248 259 260 262 271 273 274 278 282 287 292 305 328 332 350 351 357 361 373 375 384 397 400 404 414 418 420 463 467 489 493 500 504 507 525 534 568 586 612 615 616 623 633 651 664) cluster-7.sdf 8) Bioisostere 21 is the representative of the cluster containing 36 molecules with same framework (list of bioisosteres: 21 125 143 148 156 200 228 253 277 307 313 315 345 349 352 370 393 428 472 484 492 501 515 530 562 563 565 572 577 581 592 602 607 625 627 648) cluster-8.sdf 9) Bioisostere 22 is the representative of the cluster containing 78 molecules with same framework (list of bioisosteres: 22 37 39 48 71 80 104 119 126 130 131 144 152 154 159 160 161 167 172 178 185 193 208 229 237 250 251 257 264 268 269 286 301 309 312 321 337 353 355 382 385 386 398 405 406 412 415 425 430 439 443 444 446 451 452 456 462 468 473 513 524 528 541 549 557 559 566 573 580 583 598 611 622 635 642 653 666 679) cluster-9.sdf 10) Bioisostere 24 is the representative of the cluster containing 6 molecules with same framework (list of bioisosteres: 24 115 147 279 383 540) cluster-10.sdf 11) Bioisostere 28 is the representative of the cluster containing 4 molecules with same framework (list of bioisosteres: 28 40 101 139) cluster-11.sdf 12) Bioisostere 31 is the representative of the cluster containing 35 molecules with same framework (list of bioisosteres: 31 54 72 76 79 81 96 114 121 136 142 151 166 168 177 210 231 241 244 249 281 302 323 339 341 344 441 453 458 461 483 494 498 532 558) cluster-12.sdf 13) Bioisostere 32 is the representative of the cluster containing 10 molecules with same framework (list of bioisosteres: 32 64 103 140 141 179 272 326 359 454) cluster-13.sdf 14) Bioisostere 34 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 34 206) cluster-14.sdf 15) Bioisostere 35 is the representative of the cluster containing 5 molecules with same framework (list of bioisosteres: 35 52 289 325 340) cluster-15.sdf 16) Bioisostere 46 is the representative of the cluster containing 71 molecules with same framework (list of bioisosteres: 46 56 57 59 68 74 86 93 98 108 118 146 158 173 180 181 188 191 215 217 218 220 221 227 258 270 276 280 290 294 297 299 300 311 329 348 354 368 369 390 395 396 407 410 422 431 432 438 450 459 469 470 495 502 517 531 553 571 578 588 589 594 599 609 631 638 640 646 650 672 683) cluster-16.sdf 17) Bioisostere 50 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 50 165) cluster-17.sdf 18) Bioisostere 51 is the representative of the cluster containing 59 molecules with same framework (list of bioisosteres: 51 63 75 89 110 155 196 197 230 232 234 236 245 261 266 295 319 331 334 336 338 360 365 367 374 389 399 403 409 424 427 434 466 477 482 488 496 511 527 539 542 547 556 564 579 582 584 608 614 632 645 654 655 659 665 667 671 677 681) cluster-18.sdf 19) Bioisostere 62 is the representative of the cluster containing 3 molecules with same framework (list of bioisosteres: 62 529 621) cluster-19.sdf 20) Bioisostere 65 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 65 485) cluster-20.sdf 21) Bioisostere 66 is the representative of the cluster containing 4 molecules with same framework (list of bioisosteres: 66 194 225 490) cluster-21.sdf 22) Bioisostere 83 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 83) cluster-22.sdf 23) Bioisostere 84 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 84) cluster-23.sdf 24) Bioisostere 85 is the representative of the cluster containing 5 molecules with same framework (list of bioisosteres: 85 149 184 189 363) cluster-24.sdf 25) Bioisostere 91 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 91 224) cluster-25.sdf 26) Bioisostere 95 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 95) cluster-26.sdf 27) Bioisostere 106 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 106 216) cluster-27.sdf 28) Bioisostere 112 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 112) cluster-28.sdf 29) Bioisostere 116 is the representative of the cluster containing 4 molecules with same framework (list of bioisosteres: 116 252 480 509) cluster-29.sdf 30) Bioisostere 117 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 117 122) cluster-30.sdf 31) Bioisostere 120 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 120 246) cluster-31.sdf 32) Bioisostere 123 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 123 669) cluster-32.sdf 33) Bioisostere 128 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 128) cluster-33.sdf 34) Bioisostere 129 is the representative of the cluster containing 5 molecules with same framework (list of bioisosteres: 129 433 455 474 476) cluster-34.sdf 35) Bioisostere 162 is the representative of the cluster containing 5 molecules with same framework (list of bioisosteres: 162 186 310 317 327) cluster-35.sdf 36) Bioisostere 176 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 176) cluster-36.sdf 37) Bioisostere 198 is the representative of the cluster containing 13 molecules with same framework (list of bioisosteres: 198 207 275 308 356 364 387 401 457 475 491 522 548) cluster-37.sdf 38) Bioisostere 199 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 199) cluster-38.sdf 39) Bioisostere 204 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 204 448) cluster-39.sdf 40) Bioisostere 209 is the representative of the cluster containing 5 molecules with same framework (list of bioisosteres: 209 318 388 576 634) cluster-40.sdf 41) Bioisostere 212 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 212) cluster-41.sdf 42) Bioisostere 243 is the representative of the cluster containing 8 molecules with same framework (list of bioisosteres: 243 291 304 416 426 464 570 670) cluster-42.sdf 43) Bioisostere 247 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 247) cluster-43.sdf 44) Bioisostere 265 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 265 544) cluster-44.sdf 45) Bioisostere 267 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 267) cluster-45.sdf 46) Bioisostere 283 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 283) cluster-46.sdf 47) Bioisostere 285 is the representative of the cluster containing 4 molecules with same framework (list of bioisosteres: 285 413 460 619) cluster-47.sdf 48) Bioisostere 293 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 293 554) cluster-48.sdf 49) Bioisostere 296 is the representative of the cluster containing 6 molecules with same framework (list of bioisosteres: 296 371 377 391 630 656) cluster-49.sdf 50) Bioisostere 303 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 303 380) cluster-50.sdf 51) Bioisostere 314 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 314) cluster-51.sdf 52) Bioisostere 333 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 333) cluster-52.sdf 53) Bioisostere 342 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 342) cluster-53.sdf 54) Bioisostere 372 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 372) cluster-54.sdf 55) Bioisostere 376 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 376) cluster-55.sdf 56) Bioisostere 378 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 378 481) cluster-56.sdf 57) Bioisostere 379 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 379) cluster-57.sdf 58) Bioisostere 394 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 394) cluster-58.sdf 59) Bioisostere 402 is the representative of the cluster containing 4 molecules with same framework (list of bioisosteres: 402 512 600 658) cluster-59.sdf 60) Bioisostere 417 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 417) cluster-60.sdf 61) Bioisostere 429 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 429 514) cluster-61.sdf 62) Bioisostere 435 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 435 575) cluster-62.sdf 63) Bioisostere 436 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 436 595) cluster-63.sdf 64) Bioisostere 442 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 442) cluster-64.sdf 65) Bioisostere 445 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 445) cluster-65.sdf 66) Bioisostere 471 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 471) cluster-66.sdf 67) Bioisostere 478 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 478) cluster-67.sdf 68) Bioisostere 486 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 486) cluster-68.sdf 69) Bioisostere 487 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 487) cluster-69.sdf 70) Bioisostere 497 is the representative of the cluster containing 3 molecules with same framework (list of bioisosteres: 497 587 603) cluster-70.sdf 71) Bioisostere 499 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 499) cluster-71.sdf 72) Bioisostere 505 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 505) cluster-72.sdf 73) Bioisostere 508 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 508) cluster-73.sdf 74) Bioisostere 510 is the representative of the cluster containing 3 molecules with same framework (list of bioisosteres: 510 555 574) cluster-74.sdf 75) Bioisostere 516 is the representative of the cluster containing 4 molecules with same framework (list of bioisosteres: 516 520 561 596) cluster-75.sdf 76) Bioisostere 518 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 518) cluster-76.sdf 77) Bioisostere 519 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 519) cluster-77.sdf 78) Bioisostere 521 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 521 641) cluster-78.sdf 79) Bioisostere 526 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 526) cluster-79.sdf 80) Bioisostere 533 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 533) cluster-80.sdf 81) Bioisostere 538 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 538) cluster-81.sdf 82) Bioisostere 545 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 545 674) cluster-82.sdf 83) Bioisostere 546 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 546 593) cluster-83.sdf 84) Bioisostere 550 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 550) cluster-84.sdf 85) Bioisostere 560 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 560) cluster-85.sdf 86) Bioisostere 569 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 569) cluster-86.sdf 87) Bioisostere 585 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 585) cluster-87.sdf 88) Bioisostere 590 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 590) cluster-88.sdf 89) Bioisostere 591 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 591) cluster-89.sdf 90) Bioisostere 597 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 597) cluster-90.sdf 91) Bioisostere 601 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 601) cluster-91.sdf 92) Bioisostere 604 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 604) cluster-92.sdf 93) Bioisostere 605 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 605) cluster-93.sdf 94) Bioisostere 606 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 606) cluster-94.sdf 95) Bioisostere 610 is the representative of the cluster containing 5 molecules with same framework (list of bioisosteres: 610 613 628 644 660) cluster-95.sdf 96) Bioisostere 617 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 617) cluster-96.sdf 97) Bioisostere 618 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 618) cluster-97.sdf 98) Bioisostere 624 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 624) cluster-98.sdf 99) Bioisostere 626 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 626) cluster-99.sdf 100) Bioisostere 629 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 629) cluster-100.sdf 101) Bioisostere 636 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 636 668) cluster-101.sdf 102) Bioisostere 637 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 637) cluster-102.sdf 103) Bioisostere 643 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 643) cluster-103.sdf 104) Bioisostere 647 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 647) cluster-104.sdf 105) Bioisostere 649 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 649) cluster-105.sdf 106) Bioisostere 652 is the representative of the cluster containing 2 molecules with same framework (list of bioisosteres: 652 675) cluster-106.sdf 107) Bioisostere 657 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 657) cluster-107.sdf 108) Bioisostere 661 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 661) cluster-108.sdf 109) Bioisostere 662 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 662) cluster-109.sdf 110) Bioisostere 663 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 663) cluster-110.sdf 111) Bioisostere 673 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 673) cluster-111.sdf 112) Bioisostere 676 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 676) cluster-112.sdf 113) Bioisostere 678 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 678) cluster-113.sdf 114) Bioisostere 680 is the representative of the cluster containing 1 molecules with same framework (list of bioisosteres: 680) cluster-114.sdf
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