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CAplus SM and CAS Registry SM More Content, More Features, More Value!

CAplus SM and CAS Registry SM More Content, More Features, More Value!

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CAplusSM and CAS RegistrySM

More Content, More Features, More Value!

2

Session Agenda

• CAplus– Prophetic substances– Traditional medicine

patents– French and German

language patent abstracts– CAS role enhancements– Collective Formula Index

information– Improved F-term thesaurus– More accurate patent kind

codes– Company name thesaurus

enhancements– Truncation reminder

• REGISTRY– Nomenclature changes– Proton NMR spectra– Biochemistry-related

ETAGs– Updated sequence codes

• STN AnaVist 2.0– Short example

3

CAS has enhanced substance indexing to include prophetic substances

• CAS is now indexing exemplified prophetic substances (without supporting data) from English-language basic patents from five authorities:– USPTO, EPO, WIPO, United Kingdom Intellectual Property

Office (GB), Canadian Intellectual Property Office (CA)• Prophetic substances will begin appearing in

applicable records in the CA/CAplus and REGISTRY files in mid-December

• Prophetic substances are identified by an intellectually assigned CAS role– Available in both CA/CAplus and REGISTRY

• Look for more information later in December

New !

4

Prophetic substance examples

5

Prophetic substance examples

Com

pounds without M

S data

6

CAplus coverage now includes traditional medicine patents

• Patents are selected for coverage based on the World Health Organization definition of traditional medicine– “Health practices, approaches, knowledge, and beliefs

incorporating plant-, animal-, and mineral-based medicines, spiritual therapies, manual techniques, and exercises applied singularly or in combination to treat, diagnose, and prevent illness or maintain well-being”

• CAplus has also been enhanced with approximately 10,000 traditional medicine patents from 1985-2005

7

CAplus coverage now includes traditional medicine patents

AN 2007:998397 CAPLUSTI Honeycomb honey and its preparation methodIN Liang, AiPA Hong KongSO Faming Zhuanli Shenqing Gongkai Shuomingshu CODEN: CNXXEVDT PatentLA ChineseFAN.CNT 1 PATENT NO. KIND DATE APPLICATION NO. DATE --------------- ---- -------- -------------------- --------PI CN 1293043 A 20010502 CN 1999-117148 19991019PRAI CN 1999-117148 19991019 AB Honeycomb honey is prepared by decocting Nidus Vespae in water, concentrating, adding Mel, and making final product. It is used for the treatment of nasal allergy, epistaxis, nasal obstruction, rhinitis, sinusitis, pollinosis, sneeze, and watery nasal discharge. It can also be used for adjuvant treatment of pneumonia, hepatitis, and laryngalgia.

CA Section Codes (CC) are not assigned

8

Traditional medicine patents are identified as XC in the CC column of the IPC.TAB display format

=> D TI IPC.TABL1 ANSWER 1 OF 12 CAPLUS COPYRIGHT 2007 ACS on STN TI Honeycomb honey and its preparation methodPI CN 1293043 IPCI CODE VERSION POS INV LEVEL CC ASSIGNMENT DATE STAT--------------- -------- --- --- -------- -- ---------- -------- ----A61K0035-64 (7) Secondary CN Human 20010502 OA61K0035-56 (7) Secondary Core* RC Machine 20010502 OA61P0011-02 (7) Secondary CN Human 20010502 OA61P0011-00 (7) Secondary Core* RC Machine 20010502 O IPCR CODE VERSION POS INV LEVEL CC ASSIGNMENT DATE STAT--------------- -------- --- --- -------- -- ---------- -------- ----A61K0035-56 (200601) F I Core* EP Machine RA61K0035-64 (200601) L I Advanced EP Machine RA61P0011-00 (200601) L I Core* EP Machine RA61P0011-02 (200601) L I Advanced EP Machine RA61P0007-04 (200601) L I Advanced XC Human RA61P0037-08 (200601) L I Advanced XC Human RA61P0001-16 (200601) L I Advanced XC Human RA61P0011-04 (200601) L I Advanced XC Human R

9

French and German language abstracts in basic patents from the EPO are now in CAplus

AN 2007:1206817 CAPLUSTI Secure parameterisation of a security switching deviceIN Albrecht, Christian; Aufschneider, Klaus; Kraemer, WernerPA Siemens Aktiengesellschaft, GermanySO Eur. Pat. Appl. CODEN: EPXXDWDT PatentLA GermanFAN.CNT 1 PATENT NO. KIND DATE APPLICATION NO. DATE --------------- ---- -------- -------------------- --------PI EP 1847891 A1 20071024 EP 2006-8239 20060421 R: AT, BE, BG, CH, CY, CZ, DE, DK, EE, ES, FI, FR, GB, GR, HU, IE, IS, IT, LI, LT, LU, LV, MC, NL, PL, PT, RO, SE, SI, SK, TR, AL, BA, HR, MK, YUPRAI EP 2006-8239 20060421 AB Zur Vermeidung von Unfaellen und zur Sicherung von technischen Anlagen ist es ueblich, eine Vielzahl von Sicherheitseinrichtungen, wie zum Beispiel Sicherheitssensoren, Notausschalter, Lichtschranken etc., vorzusehen. Die Schnittstellen zwischen diesen Sicherheitsvorrichtungen und der o o o RE.CNT 5 THERE ARE 5 CITED REFERENCES AVAILABLE FOR THIS RECORD ALL CITATIONS AVAILABLE IN THE RE FORMAT

French or German abstract is only included if English abstract is not available.

10

CA/CAplus continues back file content enhancements

• All pre-1907 records appear with a 1906 Accession Number (AN) and Volume 0 in the Document Number (DN) field

• Records include bibliographic data and abstract-type information from the document's initial paragraph, but no index entries

• CA section numbers were added to each record to provide additional subject access

11

CA/CAplus now includes records from Chemisches Zentralblatt

AN 1906:141855 CAPLUSDN 0:141855TI Procedure for the preparation of a red dye. [machine translation]PA Kalle & Co., Akt.-Ges., Biebrich a. Rh.SO From: Chem. Zentr., 1906, II, 1888. CODEN: GWXXBXDT PatentLA GermanFAN.CNT 1 PATENT NO. KIND DATE APPLICATION NO. DATE --------------- ---- -------- -------------------- --------PI DE 177347 19061026 DE 19050716PRAI DE 19050716 AB [Machine Translation of Descriptors]. Composition Pat. to No. 177345 of the 1/7. 1906; see foregoing. In the main patent described procedure expand since the arylthioglycolsulfonic acid with free ortho position, the coloring material formation (ring closure) takes place even more easily with these. The developing dyes show a larger stability than after the procedure of the principal patent available opposite alkalis. As example the thioglycine sulfonic acid, C6H4SCH2COHSO3H, serves which will form, if one boils out the sulfanilic acid by diazotize, shifting with sodium sulfide and pan boiling of the reaction mass by nitrogen development formed thiophenol-p-sulfonic acid, C6H4SHSO3H, with chloroacetic acid.

More than 18,000 records from 1905-1906

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U.S. patents from 1870 to date now appear in CA/CAplus

=> FILE CAPLUS=> S 1890/PD AND P/DT; DIS ALL

L1 ANSWER 1 OF 1383 CAPLUS COPYRIGHT 2007 ACS on STN AN 1906:65429 CAPLUSDN 0:65429TI POCKET-LIGHTERIN Fredrikson, Andrew J.PA USASO U.S. CODEN: USXXAMDT PatentLA EnglishINCL 431272000; 44-508; 206-96; 206-820CC 21 (Fuels, Gas, and Coke) PATENT NO. KIND DATE APPLICATION NO. DATE ------------ ---- -------- ------------------ --------PI US 443986 A 18901230 US 1890-361237 18900806AB To all whom it may concern: Be it known that I, ANDREW J. FREDRIKSON, a citizen of the United States, residing at Grand Rapids, in the county of Kent and State of Michigan, have invented certain new and useful Improvements in Pocket-Lighters; and I do hereby declare the following to be a full, clear, and exact description of the invention, such as will enable others skilled in the art to which it appertains to make and use the same. My invention relates to improvements in the class of pocket-lighting devices which consist, essentially, of a continuous strip of combustible material having at intervals a small quantity of a compound

More than 16,000 US patent records from 1870-1889

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CA/CAplus preparation role (PREP) extended to pre-1967 records

• Provides more complete retrospective search for preparation and synthesis – Includes records from 1907-1966– Over 4 million index entries have been enhanced

• Specify the PREP role for a CAS Registry Number or L-number from REGISTRY

14

Additional CAS roles have been updated

• Substances previously assigned the role, Preparation, Unclassified (PNU), are now assigned a more descriptive specific PREP role such as Byproduct (BYP) or Industrial Manufacture (IMF)

• Substances in processes are now assigned the Physical, Engineering, or Chemical Process (PEP) role rather than the Chemical (CPS), Physical (PYP), or Engineering (EPR) roles

• Substances used in device components are now assigned the Technical or Engineered Material Use (TEM) role; Device Component Use (DEV) is no longer assigned in CA/CAplus   

• SDIs and saved search queries should be reviewed and updated as necessary to reflect these revisions

15

CAplus records have been enhanced with Collective Formula Index information

=> S COLLECTIVE FORMULA INDEX=> D BIB ABS INDAN 1957:14825 CAPLUS Full-textDN 51:14825OREF 51:3132a-cTI Extreme-pressure lubricating compositionsIN Van Winkle, John L.; Bell, Edward R.; Morris, Rupert C.PA Shell Development Co.DT PatentLA UnavailableFAN.CNT 1 PATENT NO. KIND DATE APPLICATION NO. DATE --------------- ---- -------- -------------------- --------PI US 2765276 19561002 US 1955-509682 19550519AB Extreme-pressure lubricants result from addition of 0.1-10% of certain organic P compds. (I) to lubricating oils. The I, which are multifunctional additives and act as corrosion and oxidation inhibitors as well as detergents, have the general formula RP(X)(Y)N(R')R'', in which X is O or S; R is a chloroalkyl radical; R' and R'' are H or the same or different hydrocarbon radicals, preferably alkyl radicals; and Y is N(R')R'', XH, XR''', or XZ, in which R''' is an alkyl, cycloalkyl, or aralkyl radical and Z is preferably an aliphatic amine. The examples describe preparation of butyl N,N-diisopropylamidotrichloromethanephosphonate, nD20 1.4730, N-butylamidotrichloromethanephosphonic acid, m. 78.degree., and its bis(2-ethylhexyl)amine salt, N,N'-dibutyltrichloromethanephosphonic • • •

This 1957 patent record has been enhanced with

additional CAS RN data (see next slide).

16

RNs added from the Collective Formula Index

CC 22 (Petroleum, Lubricants, and Asphalt)IT Lubricants (extreme-pressure additives for, amido-halo phosphono compds. as)IT 98956-38-8 99858-29-4 (Derived from data in the 6th Collective Formula Index (1957-1961))IT 98137-36-1, Phosphonamidic acid, N-butyl-P-(trichloromethyl)- (and derivs.)IT 7727-37-9, Nitrogen (compds., removal of, from hydrocarbon oils)IT 14500-78-8, Phosphonamidic acid 15376-33-7, Phosphonic diamide (derivs., lubricants containing)IT 98951-90-7P, Phosphonic diamide, N,N'-dibutyl-P-(trichloromethyl)- 105974-56-9P, Phosphonamidic acid, N,N-diisopropyl-P- (trichloromethyl)-,butyl ester 113951-54-5P, Dihexylamine, 2,2'- diethyl-, compound with N-butyl-P-(trichloromethyl)phosphonamidic acid RL: PREP (Preparation)(preparation of)

CAS RNs added from the Collective Formula Index do not have name information in the CA record.

Other CAS RNs were added to this record during previous backfile indexing enhancements.

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Improved F-term thesaurus in CAplus

=> E 4B014+NT1/FTERM E1 1306 --> 4B014/FTERM . . . CONFECTIONERYE2 0 NT1 4B014/GB00/FTERM . . . . TypeE3 1 NT1 4B014/GE00/FTERM . . . . Configuration, structure and vesselE4 0 NT1 4B014/GG00/FTERM . . . . MaterialE5 0 NT1 4B014/GK00/FTERM . . . . Additive, applicationE6 0 NT1 4B014/GL00/FTERM . . . . Additive, substanceE7 0 NT1 4B014/GP00/FTERM . . . . General processE8 1 NT1 4B014/GQ00/FTERM . . . . Forming processE9 0 NT1 4B014/GT00/FTERM . . . . Equipment in generalE10 2 NT1 4B014/GU00/FTERM . . . . Forming equipmentE11 0 NT1 4B014/GY00/FTERM . . . . Operation

F-terms are available from January 2004 forward

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=> E E5+NTE12 0 --> 4B014/GK00/FTERM . . . . Additive, applicationE13 37 NT1 4B014/GK01/FTERM . . . . . SeasoningE14 13 NT2 4B014/GK02/FTERM . . . . . . Taste seasoningE15 73 NT2 4B014/GK03/FTERM . . . . . . SweetenerE16 18 NT2 4B014/GK04/FTERM . . . . . . Acid taste seasoningE17 79 NT1 4B014/GK05/FTERM . . . . . Coloring agent, flavoring agentE18 55 NT1 4B014/GK06/FTERM . . . . . Reinforcing agentE19 72 NT1 4B014/GK07/FTERM . . . . . Dispersing agentE20 74 NT1 4B014/GK08/FTERM . . . . . Bodying agentE21 19 NT1 4B014/GK09/FTERM . . . . . Inflating agentE22 22 NT1 4B014/GK10/FTERM . . . . . Preservatives and bactericideE23 6 NT2 4B014/GK11/FTERM . . . . . . Oxidant inhibitorE24 157 NT1 4B014/GK12/FTERM . . . . . Others

F-term thesaurus explores narrow terms

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More accurate patent kind codes now in CA/CAplus

• Starting 12/2006, patent kind codes include– More accurate match of kind code data to published patent

document for newly added records– Back file effort to update records and ensure searching

consistency across the files

• Original (old) patent kind code data will now appear in the PK.OLD and PK.B.OLD fields

• Complete list of kind code changes available at: http://www.cas.org/expertise/cascontent/caplus/patcoverage/patkindchanges.html

• SDIs and saved search queries should be updated to reflect changes to codes

20

The CAplus Company Name (CO) thesaurus provides complete history

• EXPAND in the Company Name (/CO) field to find related company names

=> E EASTMAN CHEMICAL CO+ALL/COE1 0 CNUM CAS1000265/COE2 345 --> EASTMAN CHEMICAL CO/CO NOTES 1920: Tennessee Eastman Co. established 1951: Texas Eastman Co. established 1953: Tennessee Eastman Co. and Texas Eastman Co. merged to form Eastman Chemical Products, Inc. 1993: Eastman Chemical Co. spun off from Eastman Kodak Co. 1994: Eastman Chemical Co. acquired Genecor International, Inc. 1996: Eastman Chemical Co. acquired ABCO Industries, Inc. 1999: Eastman Chemical Co. acquired Lawter International, Inc. 2000: Eastman Chemical Co. acquired McWhorter Technologies, Inc.E3 7 RT1 ABCO INDUSTRIES INC/COE4 3 RT1 ABCO INDUSTRIES LTD/COE5 147 RT1 EASTMAN CHEM CO/COE6 1021 RT1 EASTMAN CHEMICAL COMPANY/COE7 156 RT2 EASTMAN CHEM PROD INC/COE8 9 RT1 EASTMAN CHEMICAL RESINS INC/COE9 4 RT1 ERNST JAEGER FABRIK CHEMISCHER ROHSTOFFE G M B H/COE10 11 RT1 GENECOR INTERNATIONAL INC/COE11 12 RT1 LAWTER CHEMICALS INC/COE12 13 RT1 MCWHORTER TECHNOLOGIES INC/COE13 297 RT1 TENNESSEE EASTMAN CO/COE14 39 RT1 TENNESSEE EASTMAN CORP/CO

21

The CAplus CO thesaurus provides details on mergers and acquisitions

1982: Procter & Gamble acquired Norwich Eaton Pharmaceuticals Inc.

1984: Tampax Inc. renamed Tambrands, Inc. 1985: Procter and Gamble Co. acquired Richardson-Vicks, Inc.

1987: Procter & Gamble acquired Blendax G.m.b.H. 1989: Procter & Gamble acquired Noxell Corp. 1990: Procter & Gamble acquired Shulton, Inc. 1991: Procter & Gamble acquired Betrix Cosmetic G.m.b.H. und Co. 1991: Procter & Gamble acquired Max Factor Co. 1991: Procter & Gamble acquired Rakona 1994: Procter & Gamble acquired VP-Schickedanz AG 1997: Procter & Gamble acquired Loreto y Pena Pobre, S.A. 1997: Procter & Gamble acquired Tambrands, Inc. 1999: Procter & Gamble acquired Iams Company 1999: Procter & Gamble acquired Recovery Engineering, Inc. 2001: Procter & Gamble acquired Clairol, Inc. 2003: Procter & Gamble acquired Wella AG 2005: Procter & Gamble acquired Gillette Co.

22

The CAplus CO thesaurus provides related terms to enhance search results

E3 4 RT1 BETRIX COSMETIC G M B H UND CO/COE4 8 RT1 BLENDAX G M B H/COE5 18 RT1 BLENDAX WERKE/COE6 54 RT1 BLENDAX WERKE R SCHNEIDER G M B H UND CO/COE7 52 RT1 BLENDAX WERKE R SCHNEIDER UND CO/COE8 23 RT1 BRAUN A G/COE9 20 RT1 BRAUN AKTIENGESELLSCHAFT/COE10 9 RT1 BRAUN G M B H/COE11 67 RT1 BRAUN GMBH/COE12 3 RT1 CENTRO RICERCHE FATER P AND G SPA/COE13 1 RT1 CHARMIN PAPER MILLS INC/COE14 1 RT1 CHARMIN PAPER PROD CO/COE15 126 RT1 CLAIROL INC/COE16 32 RT1 CLAIROL INCORPORATED/COE17 3 RT1 CLAIROL INTERNATIONAL S A/COE18 67 RT1 CLAIROL RES LAB/COE19 2 RT1 DAYS EASE HOME PRODUCTS CORP/COE20 3 RT1 DURACELL/CO

23

The CAplus CO thesaurus lists joint ventures to enhance search results

E31 380 RT1 GILLETTE CO/COE32 12 RT1 GILLETTE CO RES INST/COE33 16 RT1 GILLETTE COMPANY/CO

E59 13 RT1 MAX FACTOR AND CO/COE60 26 RT1 MAX FACTOR CO/COE61 6 RT1 MAX FACTOR CO LTD/CO

E79 5090 RT1 PROCTER AND GAMBLE CO/COE80 1 RT1 PROCTER AND GAMBLE CO OF CANADA LTD/COE81 670 RT1 PROCTER AND GAMBLE COMPANY/CO

E153 9 JV1 SANYO DURACELL CO LTD/CO NOTE 1982: Sanyo Electric Co., Ltd. and Duracell International, Inc. formed joint venture,

Sanyo Duracell Co., Ltd.********** END **********

24

Searching the thesaurus is accomplished with only one term fee

=> S E2+ALLL1 17099 "PROCTER GAMBLE"+ALL/CO (153 TERMS)

=> S L1 AND P/DT 5673728 P/DTL2 12794 L1 AND P/DT

=> S L2 AND PY.B>1977 20080656 PY.B>1977L3 9865 L2 AND PY.B>1977

=> D COST FULL

CAPLUS FILE COST= CONNECT HOURS 0.22 @ 41.00 9.02 INTERNET HOURS 0.22 @ 6.00 1.32 SEARCH TERMS IN FIELD DT 3 @ 2.01 6.03 SEARCH TERMS IN FIELD PY.B 4 @ 2.01 8.04 SEARCH THESAURUS TERMS INPUT 1 @ 2.01 2.01

153 terms for the price of one!

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Reminder: CA/CAplus fields enhanced with simultaneous left and right truncation

• Simultaneous left and right truncation (SLART) now available in both the complete Basic Index (BI) and individual fields including – Abstract (AB)– Title (TI)– Index Term (IT)– Supplementary Term (ST)

• A complete listing of all STN databases with SLART is available at:http://www.cas.org/support/stngen/dbss/stnslartfiles.html

26

REGISTRY nomenclature changes provide more consistent multicomponent names

• Numerical ratios for multicomponent substances – 9CI: Glycine, N-(aminoiminomethyl)-N-methyl-, monohydrate– Updated: Glycine, N-(aminoiminomethyl)-N-methyl-, hydrate

(1:1)

• Multicomponent substances with an acid use “ides” for hydrohalides and “ates” for other acids – 9CI: Benzenepropanoic acid, compd. with hydrochloric acid (1:1)– Updated: Benzenepropanoic acid, hydrochloride (1:1)

• Examples of additional nomenclature changes are available at: http://www.cas.org/support/stngen/doc/index.html

27

REGISTRY has more than 83,000 Proton NMR spectra

RN 866481-02-9 REGISTRYED Entered STN: 01 Nov 2005CN 4(1H)-Quinazolinone, 2-(2-chlorophenyl)-2,3-dihydro-3-(4-hydroxyphenyl)- (CA INDEX NAME)MF C20 H15 Cl N2 O2SR Chemical Library Supplier: TimTec, Inc.LC STN Files: CHEMCATS

**PROPERTY DATA AVAILABLE IN THE 'PROP' FORMAT**Experimental Properties (EPROP) PROPERTY (CODE) | VALUE | NOTE ==================+========+=========Proton NMR Spectra|Spectrum|(1) WSS (1) Spectral data were obtained from Wiley Subscription Services, Inc. (US)

28

REGISTRY has more than 83,000 Proton NMR spectra

Proton NMR Spectra

Spectrum ID: ASI_11211477 high-resolution imageSolvent: dimethyl sulfoxide-d6 (2206-27-1)Working Frequency: 500.134003 MHzSource: Spectral data were obtained from Wiley Subscription Services, Inc. (US)

Use SPEC.H1NMR or SPEC.PROTONNMR

display formats

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Example: Searching for HNMR spectra for 3-membered S-ring compounds

=> FILE REGISTRY=> S 2508.183.17/RIDL1 10341 2508.183.17/RID

=> S l1 AND PROTON?/SPEC 83594 PROTON?/SPECL2 9 L1 AND PROTON?/SPEC

=> S l1 AND PROTON?/ETAG 1437312 PROTON?/ETAGL3 393 L1 AND PROTON?/ETAG

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Example: Searching for HNMR spectra for 3-membered S-ring compounds

=> D L3 RN IN STR HITL3 ANSWER 1 OF 393 REGISTRY COPYRIGHT 2007 ACS on STN RN 950597-37-2 REGISTRYIN 9H-Thioxanthen-9-ol, 9-(4-methoxy-2,6-dimethylphenyl)-**PROPERTY DATA AVAILABLE IN THE 'PROP' FORMAT**

Ring System Data Elemental|Elemental| Size of |Ring System| Ring | RID Analysis |Sequence |the Rings| Formula |Identifier |Occurrence EA | ES | SZ | RF | RID | Count =========+=========+=========+===========+===========+==========C6 |C6 |6 |C6 |46.150.18 |1 C5S-C6-C6|SC5-C6-C6|6-6-6 |C13S |2508.183.17|1

31

Example: Searching for HNMR spectra for 3-membered S-ring compounds

Experimental Property Tags (ETAG) PROPERTY | NOTE ==================+=======Proton NMR Spectra|(1) CAS (1) Hagel, Marcel; European Journal of Organic Chemistry 2007(21) P3573-3582 CAPLUS

See HELP PROPERTIES for information about property data sources in REGISTRY.

=> S l1 NOT l2,l3L4 9940 L1 NOT (L2 OR L3)

=> FILE CAPLUS=> S l4/PRP AND ((H OR 1H OR PROTON)(4W)(NMR OR N M R OR SPECTR?) OR HNMR OR

1HNMR)L5 27 L4/PRP AND ((H OR 1H OR PROTON)(4W)(NMR OR N M R OR SPECTR?) OR HNMR OR 1HNMR)

32

Example: Searching for HNMR spectra for 3-membered S-ring compounds

=> D 2 BIB KWIC HITSTR L5 ANSWER 2 OF 27 CAPLUS COPYRIGHT 2007 ACS on STN AN 2005:559891 CAPLUSDN 143:193908TI Preparation of diepoxy group containing thioxanthones as photoinitiatorIN Jiang, XuesongPA Shanghai Jiaotong University, Peop. Rep. ChinaSO Faming Zhuanli Shenqing Gongkai Shuomingshu, No pp. given CODEN: CNXXEVDT PatentLA ChineseFAN.CNT 1 PATENT NO. KIND DATE APPLICATION NO. DATE --------------- ---- -------- -------------------- --------PI CN 1546488 A 20041117 CN 2003-10109361 20031212PRAI CN 2003-10109361 20031212 OS CASREACT 143:193908; MARPAT 143:193908

33

Example: Searching for HNMR spectra for 3-membered S-ring compounds

AB . . . concd. sulfuric acid (50%) and followed by reaction with epichlorohydrin in cyclohexanone, gave II in 79% yield. The IR and 1H NMR spectra of II were presented.IT 697751-65-8P RL: PRP (Properties); SPN (Synthetic preparation); TEM (Technical or engineered material use); PREP (Preparation); USES (Uses) (prepn. of bis(oxiranylmethoxy)thioxanthone derivs. as

photoinitiator)RN 697751-65-8 CAPLUS CN 9H-Thioxanthen-9-one, 1,4-bis(oxiranylmethoxy)- (9CI) (CA INDEX NAME)

34

REGISTRY enhanced with biochemistry-related property tags (ETAG)

• New ETAGs refer to biochemistry-related data – Applied to new proteins and

nucleic acids

• Adds a new tool to REGISTRY for refining biological substance searches

• ETAGs– Allele frequency and

heterozygosity– Disease-related mutations– Drug targets– Functional sites– Genetic mapping– Genetic polymorphism– Human disease-related

mutations– Non-human animal disease-

related mutations– Plant disease-related

mutations– Post-translational protein

modifications– Subcellular localization

For more information about ETAGs and other property

information in REGISTRY, visit http://www.cas.org/support/stngen/stn

doc/properties.html.

35

Example of biochemistry-related ETAG in REGISTRY

RN 336874-97-6 REGISTRYED Entered STN: 21 May 2001CN Cytochrome P 450 3A5 (CA INDEX NAME)OTHER NAMES:CN Cytochrome CYP3A5CN P 450 3A5MF UnspecifiedCI MANSR CALC STN Files: BIOSIS, BIOTECHNO, CA, CAPLUS, EMBASE, TOXCENTER, USPAT2,

USPATFULL *** STRUCTURE DIAGRAM IS NOT AVAILABLE *** **PROPERTY DATA AVAILABLE IN THE 'PROP' FORMAT** 553 REFERENCES IN FILE CA (1907 TO DATE) 562 REFERENCES IN FILE CAPLUS (1907 TO DATE) Experimental Property Tags (ETAG) PROPERTY | NOTE ===================================+=======Allele Frequency and Heterozygosity|(1) CASGenetic Polymorphism |(1) CAS (1) Li, Dan; Clinica Chimica Acta 2007 V383(1-2) P133-139 CAPLUS

Use ETAG or PROP display formats

36

REGISTRY updated with new sequence codes

• REGISTRY has been updated with amino acid codes for pyrrolysine– Pyrrolysine was identified in 2002 as the 22nd

genetically encoded amino acid – Recently assigned the amino acid codes "O" and

"PYL“

• New ambiguity codes, “J” and “Xle”, for isoleucine and leucine have been added to records appearing in REGISTRY

37

STN AnaVist 2.0: an advanced tool for collecting and efficiently analyzing answers from STN files

• STN AnaVist automatically creates interactive visualizations that are dynamically linked– 1-dimensional Bar Charts – 2-dimensional Matrix Charts– Research Landscape

• Evaluate unique relationships between structured and unstructured data, make data comparisons

• Integrated content from multiple files – CAplusSM family of files, Derwent World Patents Index,

PCTFULL, and U.S. full-text patent files

• Includes project sharing, reporting and exporting features

38

Case study: Polymorphic compositions

• Used CAplus (patents only) and WPIndex with a file-specific search strategy resulted in 4119 answers

• Rough removal of duplicates and saved for STN AnaVist 2.0

• Used Edit Terms to further group company name variations (save for future use)

• Used Custom Labels to distinguish Innovative Pharma from Generics companies

• Used Custom Labels to create document sets for 5 main disease areas: Cancer, Cardiovascular, CNS, Diabetes and Respiratory– Based on CAplus Technology Indicators, Derwent Manual

Codes, Clustering Concepts and IPC

39

Generating custom labels to distinguish between innovative pharma and generics companies

40

Generating custom labels for 5 specific disease areas

41

Using multi-colored highlighting

• Use the highlighting manager to set the colors for multi-parameter highlighting

• Consider a neutral color for the highlighting of overlap hits

• Best results obtained using non-overlapping parameters (eg Publication year)

• Generate multiple charts to get full picture of the relationships between various concepts

• Personal preference for multiple bar charts versus a matrix chart

42

Time and disease group trends

43

Time trends for companies and disease areas

44

Session Summary

• CAplus– Prophetic substances– Traditional medicine

patents– French and German

language patent abstracts– CAS role enhancements– Collective Formula Index

information– Improved F-term thesaurus– More accurate patent kind

codes– Company name thesaurus

enhancements– Truncation reminder

• REGISTRY– Nomenclature changes– Proton NMR spectra– Biochemistry-related

ETAGs– Updated sequence codes

• STN AnaVist– Short example

Thank you for your attention