A QSAR Study Based on SVM for the Compound of Hydroxyl Benzoic Esters

<table class="table-group" id="tab9"><tr><td><table class="table"><tr><td class="thead-hr" colspan="6"><hr/></td></tr><tr class="thead"><td class="align_left">Method</td><td class="align_center"><span style="width: 6.6501ptpx;"><svg height="6.1673pt" id="M69" style="vertical-align:-0.2063904pt" version="1.1" viewbox="-0.0498162 -5.96091 6.6501 6.1673" width="6.6501pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M495 86L479 114C446 82 419 66 409 66C401 66 401 72 406 97C420 166 436 231 453 297C489 435 454 448 428 448C406 448 384 439 354 422C305 394 222 327 161 247H159L183 345C200 415 194 448 173 448C143 448 82 410 23 351L38 325C64 349 95 371 105 371C111 371 116 365 109 336L25 -4L31 -12C50 -4 77 3 107 9C119 69 132 122 145 168C197 254 321 381 370 381C387 381 393 374 378 305L329 95C309 17 320 -12 345 -12C372 -12 430 19 495 86Z" id="g113-111"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="502" vert-adv-y="502" xpluscharwidth="6.526"></glyph.data></g></svg></span></td><td class="align_center"><span style="width: 8.28119ptpx;"><svg height="8.8423pt" id="M70" style="vertical-align:-0.2064009pt" version="1.1" viewbox="-0.0498162 -8.6359 8.28119 8.8423" width="8.28119pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M610 18C585 26 567 34 540 68C517 97 499 128 476 171C452 215 425 276 413 304C496 332 570 394 570 494C570 555 545 595 509 619S419 650 364 650H139L133 622C216 615 219 612 203 527L129 132C112 40 105 36 23 28L17 0H279L285 28C199 34 194 40 211 132L239 284H284C320 284 334 275 351 236C374 182 394 140 420 93C459 23 495 -1 592 -8H600L610 18ZM480 485C480 424 449 372 403 342C374 323 338 316 293 316H245L291 562C296 589 301 601 311 608S337 618 358 618C432 618 480 575 480 485Z" id="g113-83"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="627" vert-adv-y="627" xpluscharwidth="8.151"></glyph.data></g></svg></span></td><td class="align_center"><span style="width: 13.2276ptpx;"><svg height="11.7978pt" id="M71" style="vertical-align:-0.2063999pt" version="1.1" viewbox="-0.0498162 -11.5914 13.2276 11.7978" width="13.2276pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M610 18C585 26 567 34 540 68C517 97 499 128 476 171C452 215 425 276 413 304C496 332 570 394 570 494C570 555 545 595 509 619S419 650 364 650H139L133 622C216 615 219 612 203 527L129 132C112 40 105 36 23 28L17 0H279L285 28C199 34 194 40 211 132L239 284H284C320 284 334 275 351 236C374 182 394 140 420 93C459 23 495 -1 592 -8H600L610 18ZM480 485C480 424 449 372 403 342C374 323 338 316 293 316H245L291 562C296 589 301 601 311 608S337 618 358 618C432 618 480 575 480 485Z" id="g113-83"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="627" vert-adv-y="627" xpluscharwidth="8.151"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,8.151,-5.741)"><path d="M414 144C384 79 371 75 317 75H135L276 221C367 316 408 376 408 465C408 570 327 635 237 635C179 635 131 609 100 575L42 494L67 471C94 510 138 565 205 565C277 565 321 517 321 435C321 348 258 270 195 195C146 137 88 81 33 26V0H411C423 44 433 88 446 135L414 144Z" id="g50-51"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="487" vert-adv-y="487" xpluscharwidth="12.58268539"></glyph.data></g></svg></span></td><td class="align_center"><span style="width: 17.702ptpx;"><svg height="11.9316pt" id="M72" style="vertical-align:-3.2957pt" version="1.1" viewbox="-0.0498162 -8.6359 17.702 11.9316" width="17.702pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M610 18C585 26 567 34 540 68C517 97 499 128 476 171C452 215 425 276 413 304C496 332 570 394 570 494C570 555 545 595 509 619S419 650 364 650H139L133 622C216 615 219 612 203 527L129 132C112 40 105 36 23 28L17 0H279L285 28C199 34 194 40 211 132L239 284H284C320 284 334 275 351 236C374 182 394 140 420 93C459 23 495 -1 592 -8H600L610 18ZM480 485C480 424 449 372 403 342C374 323 338 316 293 316H245L291 562C296 589 301 601 311 608S337 618 358 618C432 618 480 575 480 485Z" id="g113-83"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="627" vert-adv-y="627" xpluscharwidth="8.151"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,8.086,3.132)"><path d="M442 39L431 68C420 63 406 57 394 57C377 57 359 71 359 118V301C359 353 349 393 314 424C291 443 261 451 230 451C171 438 107 401 79 381C59 366 46 355 46 340C46 316 72 295 91 295C106 295 117 303 122 319C131 350 139 371 152 384C163 397 178 404 197 404C246 404 281 365 281 293V278C260 262 186 232 124 213C69 194 41 161 41 112C41 47 92 -12 163 -12C195 -12 243 25 283 51C288 35 293 22 308 7C319 -4 339 -12 354 -12L442 39ZM281 87C262 68 226 51 199 51C169 51 129 74 129 126C129 162 151 181 190 198C211 208 259 229 281 240V87Z" id="g58-95"></path><glyph.data ascent="1007" descent="-369" horiz-adv-x="449" vert-adv-y="449" xpluscharwidth="12.17188653"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,12.144,3.132)"><path d="M526 56L493 58C457 61 448 68 448 119V710C411 697 344 682 288 675V646C362 641 367 639 367 573V439C344 448 315 451 300 451C164 451 40 342 40 202C40 61 147 -12 227 -12C239 -12 266 -7 305 16L367 53V-12C427 10 505 21 526 26V56ZM367 88C342 69 306 54 271 54C207 54 133 111 133 229C133 373 219 409 264 409C301 409 342 394 367 359V88Z" id="g58-98"></path><glyph.data ascent="1007" descent="-369" horiz-adv-x="538" vert-adv-y="538" xpluscharwidth="17.03978386"></glyph.data></g></svg></span></td><td class="align_center">RSD</td></tr><tr><td class="thead-hr" colspan="6"><hr/></td></tr><tr><td class="align_left">MLR</td><td class="align_center">25</td><td class="align_center">0.649</td><td class="align_center">0.421</td><td class="align_center">0.311</td><td class="align_center">0.260</td></tr><tr><td class="align_left">MLR</td><td class="align_center">8 (<svg height="8.8423pt" id="M73" style="vertical-align:-0.2064009pt" version="1.1" viewbox="-0.0498162 -8.6359 8.8162 8.8423" width="8.8162pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M645 631C614 643 545 666 457 666C215 666 23 519 23 283C23 90 158 -16 337 -16C412 -16 489 2 522 10C543 39 590 127 606 167L580 181C519 89 459 18 348 18C201 18 122 136 122 287C122 464 244 632 435 632C544 632 602 595 608 472L639 475C643 526 645 581 645 631Z" id="g113-68"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="668" vert-adv-y="668" xpluscharwidth="8.684"></glyph.data></g></svg> &lt; 4)</td><td class="align_center">0.969</td><td class="align_center">0.938</td><td class="align_center">0.856</td><td class="align_center">0.076</td></tr><tr class="table-tr"><td colspan="6"><hr class="tbody-hr"/></td></tr></table></td></tr></table>

The parameters of the MLR model established by Wang Deng-Ju.

Bioinorganic Chemistry and Applications

tab9

Table 9

Table 9: A QSAR Study Based on SVM for the Compound of Hydroxyl Benzoic Esters 