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1. (WO2007008987) MOLECULAR KEYWORD INDEXING FOR CHEMICAL STRUCTURE DATABASE STORAGE, SEARCHING AND RETRIEVAL
Latest bibliographic data on file with the International Bureau

Pub. No.: WO/2007/008987 International Application No.: PCT/US2006/027055
Publication Date: 18.01.2007 International Filing Date: 11.07.2006
IPC:
G06F 19/00 (2011.01)
G PHYSICS
06
COMPUTING; CALCULATING; COUNTING
F
ELECTRIC DIGITAL DATA PROCESSING
19
Digital computing or data processing equipment or methods, specially adapted for specific applications
Applicants:
eMolecules, Inc. [US/US]; P.O. Box 2790 Del Mar, California 92014-5790, US (AllExceptUS)
JAMES, Craig, A. [US/US]; US (UsOnly)
GUBERNATOR, Klaus [US/US]; US (UsOnly)
Inventors:
JAMES, Craig, A.; US
GUBERNATOR, Klaus; US
Agent:
HALL, David, A. ; TOWNSEND AND TOWNSEND AND CREW LLP 12730 High Bluff Drive, Suite 400 San Diego, California 92130, US
Priority Data:
60/698,51111.07.2005US
Title (EN) MOLECULAR KEYWORD INDEXING FOR CHEMICAL STRUCTURE DATABASE STORAGE, SEARCHING AND RETRIEVAL
(FR) INDEXATION DE MOTS-CLES MOLECULAIRES POUR LE STOCKAGE, L'EXPLORATION ET L'EXTRACTION DE BASES DE DONNEES DE STRUCTURES CHIMIQUES
Abstract:
(EN) Data that represents chemical structures, and fragments thereof, are transformed into corresponding molecular keywords comprising letters and numbers that are associated with the original data representation. These molecular keywords encode the structural features of a given chemical structure. Molecular keywords are generated for linear structures, branching points, adjacent branching points, monocyclic, polycyclic and macrocyclic ring systems, stereo centers, ring-substituent patterns and molecular-formula atom counts. Indexing, database searching, and Web page presentation can be provided in conjunction with the molecular keywords representation.
(FR) Selon l'invention, des données représentant des structures chimiques, et des fragments de ces dernières, sont transformées en des mots-clés moléculaires correspondants, lesquels comportent des lettres et des nombres qui sont associés à la représentation originale des données. Lesdits mots-clés moléculaires encodent les caractéristiques structurelles d'une structure chimique donnée. Les mots-clés moléculaires sont générés pour des structures linéaires, des points de branchement, points de branchement adjacents, des systèmes cycliques, polycycliques et macrocycliques, des stéréocentres, des compositions de substitution et des nombres d'atomes à formule moléculaire. L'indexation, l'exploration de bases de données et la présentation de pages Web peuvent être associées à la représentation des mots-clés moléculaires.
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Designated States: AE, AG, AL, AM, AT, AU, AZ, BA, BB, BG, BR, BW, BY, BZ, CA, CH, CN, CO, CR, CU, CZ, DE, DK, DM, DZ, EC, EE, EG, ES, FI, GB, GD, GE, GH, GM, HN, HR, HU, ID, IL, IN, IS, JP, KE, KG, KM, KN, KP, KR, KZ, LA, LC, LK, LR, LS, LT, LU, LV, LY, MA, MD, MG, MK, MN, MW, MX, MZ, NA, NG, NI, NO, NZ, OM, PG, PH, PL, PT, RO, RS, RU, SC, SD, SE, SG, SK, SL, SM, SY, TJ, TM, TN, TR, TT, TZ, UA, UG, US, UZ, VC, VN, ZA, ZM, ZW
African Regional Intellectual Property Organization (ARIPO) (BW, GH, GM, KE, LS, MW, MZ, NA, SD, SL, SZ, TZ, UG, ZM, ZW)
Eurasian Patent Organization (AM, AZ, BY, KG, KZ, MD, RU, TJ, TM)
European Patent Office (AT, BE, BG, CH, CY, CZ, DE, DK, EE, ES, FI, FR, GB, GR, HU, IE, IS, IT, LT, LU, LV, MC, NL, PL, PT, RO, SE, SI, SK, TR)
African Intellectual Property Organization (BF, BJ, CF, CG, CI, CM, GA, GN, GQ, GW, ML, MR, NE, SN, TD, TG)
Publication Language: English (EN)
Filing Language: English (EN)
Also published as:
EP1907967