Knowledge

David Weininger

Source đź“ť

31: 294: 206:
to develop similar models for other chemicals. During this period, Weininger started working with chemical databases which include structure-activity relationships. Weininger realized the difficulty to balance the
253:
to Joseph and Marion Weininger as the eldest of three children, along with Arthur and Johanan. His father Joseph was from Austria and worked as a chemist in General Electric.
706: 334:; Anthony Nicholls; Tudor I Oprea; Terry Stouch (3 February 2018). "Leaving us with fond memories, smiles, SMILES and, alas, tears: a tribute to David Weininger, 1952-2016". 238:(LogP) for molecules, which resulted in the software, cLogP, in 1983. The first publication on SMILES came out in 1988, while Weininger was affiliated with Pomona College. 192: 124: 711: 216: 590: 241:
In 1987, Weininger founded Daylight Chemical Information Systems, Inc. along with his brother Arthur Weininger and the business associate Yosi Taitz.
701: 175:, then switched to chemistry. After graduation, he worked for General Electric in Canada, where he worked on water management. He then attended 188: 176: 93: 235: 649: 716: 721: 696: 208: 616: 132: 279: 199: 180: 159:), substructures (SMARTS) and reactions (SMIRKS). He also founded Daylight Chemical Information Systems, Inc. 212: 179:, where he graduated with a PhD in environmental engineering in 1978. His PhD project involves the study of 172: 168: 114: 85: 562: 331: 227: 89: 393:"SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules" 691: 686: 73: 303: 265:
was published in 2003, featuring Weininger and other leaders of informatics in the Santa Fe area.
54: 667: 645: 514: 468: 415: 359: 351: 262: 203: 599: 522: 506: 476: 460: 423: 407: 367: 343: 327: 148: 110: 299: 223: 128: 30: 680: 274: 231: 184: 152: 497:(1 August 1990). "SMILES. 3. DEPICT. Graphical depiction of chemical structures". 445: 392: 261:
The Info Mesa: Science, Business, and New Age Alchemy on the Santa Fe Plateau by
347: 219:, or SMILES, such that it's easy for both humans and computers to understand. 642:
The Info Mesa: Science, Business, and New Age Alchemy on the Santa Fe Plateau
518: 472: 419: 355: 670:, Journal of Computer-Aided Molecular Design volume 32, pages 313–319 (2018) 603: 540: 363: 526: 480: 427: 371: 250: 195:(EPA) using computer graphics algorithms, by then still a nascent field. 510: 464: 411: 215:
which was more efficient for computer processing. Weininger developed
156: 151:
and entrepreneur. He was most notable for inventing the chemical
446:"SMILES. 2. Algorithm for generation of unique SMILES notation" 198:
Upon graduation, he was hired by the EPA directly in its
191:. He developed a computational model using data from the 444:; Arthur Weininger; Joseph L. Weininger (1 May 1989). 499:
Journal of Chemical Information and Computer Sciences
453:
Journal of Chemical Information and Computer Sciences
400:
Journal of Chemical Information and Computer Sciences
147:(August 5, 1952 – November 2, 2016) was an American 592:
Accumulation of PCBs by lake trout in Lake Michigan
120: 106: 81: 62: 40: 21: 322: 320: 193:United States Environmental Protection Agency 125:United States Environmental Protection Agency 8: 336:Journal of Computer - Aided Molecular Design 234:and Albert Leo to work on the prediction of 217:Simplified molecular-input line-entry system 545:Daylight Chemical Information Systems, Inc 29: 18: 617:"The History of the Development of CLOGP" 383: 381: 556: 554: 316: 707:University of Wisconsin–Madison alumni 211:for chemicals, used by human, and the 133:Daylight Chemical Information Systems 7: 712:Alumni of the University of Bristol 236:octanol-water partition coefficient 14: 200:National Water Quality Laboratory 292: 189:University of Wisconsin–Madison 177:University of Wisconsin–Madison 94:University of Wisconsin–Madison 702:University of Rochester alumni 1: 16:American chemist (1952–2016) 738: 668:Tribute to David Weininger 644:. New York: W. W. Norton. 257:Works mentioning Weininger 348:10.1007/S10822-018-0104-3 181:Polychlorinated biphenyls 138: 99: 28: 717:Scientists from Brooklyn 213:Wiswesser line notation 173:Eastman School of Music 169:University of Rochester 115:computational chemistry 86:University of Rochester 722:Pomona College faculty 697:Computational chemists 640:Regis, Edward (2003). 249:Weininger was born in 228:Claremont, California 167:Weininger studied at 90:University of Bristol 563:"Weininger's Smiles" 163:Education and career 74:Santa Fe, New Mexico 511:10.1021/CI00067A005 465:10.1021/CI00062A008 412:10.1021/CI00057A005 391:(1 February 1988). 222:Weininger moved to 302:has a profile for 251:Brooklyn, New York 209:IUPAC nomenclature 55:Brooklyn, New York 308: 263:Ed Regis (author) 204:Duluth, Minnesota 149:cheminformatician 142: 141: 101:Scientific career 35:Weininger in 1992 729: 656: 655: 637: 631: 630: 628: 627: 621:www.daylight.com 613: 607: 606: 597: 583: 577: 576: 574: 573: 558: 549: 548: 541:"About Daylight" 537: 531: 530: 491: 485: 484: 450: 438: 432: 431: 397: 385: 376: 375: 328:Johann Gasteiger 324: 306: 305:David Weininger 296: 295: 280:Anthony Nicholls 155:for structures ( 69: 66:November 2, 2016 50: 48: 33: 19: 737: 736: 732: 731: 730: 728: 727: 726: 677: 676: 674: 664: 659: 652: 639: 638: 634: 625: 623: 615: 614: 610: 595: 589:(19 May 1978), 587:David Weininger 585: 584: 580: 571: 569: 567:Chemistry World 561:Andrea, Sella. 560: 559: 552: 539: 538: 534: 495:David Weininger 493: 492: 488: 448: 442:David Weininger 440: 439: 435: 395: 389:David Weininger 387: 386: 379: 326: 325: 318: 314: 313: 312: 297: 293: 288: 271: 259: 247: 230:, working with 171:, first at the 165: 145:David Weininger 131: 127: 111:Cheminformatics 82:Alma mater 77: 71: 67: 58: 52: 46: 44: 36: 24: 23:David Weininger 17: 12: 11: 5: 735: 733: 725: 724: 719: 714: 709: 704: 699: 694: 689: 679: 678: 672: 671: 663: 662:External links 660: 658: 657: 651:978-0393021233 650: 632: 608: 578: 550: 532: 505:(3): 237–243. 486: 433: 377: 342:(2): 313–319. 315: 298: 291: 290: 289: 287: 284: 283: 282: 277: 270: 267: 258: 255: 246: 243: 224:Pomona College 164: 161: 153:line notations 140: 139: 136: 135: 129:Pomona College 122: 118: 117: 108: 104: 103: 97: 96: 83: 79: 78: 72: 70:(aged 64) 64: 60: 59: 53: 51:August 5, 1952 42: 38: 37: 34: 26: 25: 22: 15: 13: 10: 9: 6: 4: 3: 2: 734: 723: 720: 718: 715: 713: 710: 708: 705: 703: 700: 698: 695: 693: 690: 688: 685: 684: 682: 675: 669: 666: 665: 661: 653: 647: 643: 636: 633: 622: 618: 612: 609: 605: 601: 594: 593: 588: 582: 579: 568: 564: 557: 555: 551: 546: 542: 536: 533: 528: 524: 520: 516: 512: 508: 504: 500: 496: 490: 487: 482: 478: 474: 470: 466: 462: 459:(2): 97–101. 458: 454: 447: 443: 437: 434: 429: 425: 421: 417: 413: 409: 405: 401: 394: 390: 384: 382: 378: 373: 369: 365: 361: 357: 353: 349: 345: 341: 337: 333: 332:Yvonne Martin 329: 323: 321: 317: 310: 309: 301: 285: 281: 278: 276: 275:Corwin Hansch 273: 272: 268: 266: 264: 256: 254: 252: 245:Personal life 244: 242: 239: 237: 233: 232:Corwin Hansch 229: 225: 220: 218: 214: 210: 205: 201: 196: 194: 190: 186: 185:Lake Michigan 182: 178: 174: 170: 162: 160: 158: 154: 150: 146: 137: 134: 130: 126: 123: 119: 116: 112: 109: 105: 102: 98: 95: 91: 87: 84: 80: 75: 65: 61: 56: 43: 39: 32: 27: 20: 673: 641: 635: 624:. Retrieved 620: 611: 591: 586: 581: 570:. Retrieved 566: 544: 535: 502: 498: 494: 489: 456: 452: 441: 436: 406:(1): 31–36. 403: 399: 388: 339: 335: 307:(Q106353824) 304: 260: 248: 240: 221: 197: 166: 144: 143: 121:Institutions 100: 68:(2016-11-02) 692:2016 deaths 687:1952 births 681:Categories 626:2022-08-07 604:Q109329683 572:2022-08-07 286:References 47:1952-08-05 527:Q56066313 519:1520-5142 481:Q28090803 473:1520-5142 428:Q28090714 420:1520-5142 372:Q49349899 356:0920-654X 600:Wikidata 523:Wikidata 477:Wikidata 424:Wikidata 368:Wikidata 364:29397518 269:See also 300:Scholia 187:at the 648:  602:  525:  517:  479:  471:  426:  418:  370:  362:  354:  157:SMILES 107:Fields 596:(PDF) 449:(PDF) 396:(PDF) 76:, USA 57:, USA 646:ISBN 515:ISSN 469:ISSN 416:ISSN 360:PMID 352:ISSN 63:Died 41:Born 507:doi 461:doi 408:doi 344:doi 226:in 202:in 183:in 683:: 619:. 598:, 565:. 553:^ 543:. 521:. 513:. 503:30 501:. 475:. 467:. 457:29 455:. 451:. 422:. 414:. 404:28 402:. 398:. 380:^ 366:. 358:. 350:. 340:32 338:. 330:; 319:^ 113:, 92:, 88:, 654:. 629:. 575:. 547:. 529:. 509:: 483:. 463:: 430:. 410:: 374:. 346:: 311:. 49:) 45:(

Index


Brooklyn, New York
Santa Fe, New Mexico
University of Rochester
University of Bristol
University of Wisconsin–Madison
Cheminformatics
computational chemistry
United States Environmental Protection Agency
Pomona College
Daylight Chemical Information Systems
cheminformatician
line notations
SMILES
University of Rochester
Eastman School of Music
University of Wisconsin–Madison
Polychlorinated biphenyls
Lake Michigan
University of Wisconsin–Madison
United States Environmental Protection Agency
National Water Quality Laboratory
Duluth, Minnesota
IUPAC nomenclature
Wiswesser line notation
Simplified molecular-input line-entry system
Pomona College
Claremont, California
Corwin Hansch
octanol-water partition coefficient

Text is available under the Creative Commons Attribution-ShareAlike License. Additional terms may apply.

↑