DiscoveryGate databases content

Transcription

1 DiscoveryGate databases content * Compound Index contains molecules indexed in the following databases Reference Databases CrossFire Beilstein CrossFire Gmelin Thomson Scientific Index Chemicus* Patent Information Sources MDL Patent Chemistry Database* Derwent Word Patents Index (DWPI)* MDL Drug Data Report (MDDR)* CrossFire Beilstein Bioactivity-Pharmacology Solutions CrossFire Beilstein MDL Patent Chemistry Database* MDL Drug Data Report (MDDR)* MDL Comprehensive Medicinal Chemistry (CMC)* National Cancer Institute Databases* xpharm* PharmaPendium* NCBI PubChem Database* GeneGo MetaDrug* GeneGo MetaCore* Metabolism & Toxicology Solutions MDL Metabolite Database* MDL Toxicity Database* Chemical Sourcing MDL Available Chemical Directory (ACD)* MDL Screening Compounds Directory (SCD)* Synthesis Planning Solutions CrossFire Beilstein MDL Patent Chemistry Database* ChemInform Reaction Library (CIRX)* Current Synthetic Methodology (CSM)* Derwent Journal of Synthetic Methods (DJSM)* MDL Reference Library of Synthetic Methodology* MDL Solid Phase Organic Reactions (SPORe)* ORGSYN database* Thomson Scientific Current Chemical Reactions* CrossFire Gmelin Integrated Major Reference Works Organic Functional Group Transformation Comprehensive Asymmetric Catalysis Environmental, Health and Safety Solutions OHS MSDS Services* 1/14

2 CrossFire Beilstein Description of each of the Databases The CrossFire Beilstein database is the world's largest compilation of chemical facts. As the cornerstone database to the organic chemistry literature, the CrossFire Beilstein database is essential for generating new leads, planning synthetic routes (including starting materials and intermediates), determining bioactivity and physical properties, and ascertaining the environmental fates of compounds. CrossFire Beilstein indexes three primary data domains: substances, reactions and citations (literature). The substance domain stores structural information with all associated facts and literature references, including chemical, physical and bioactivity data. The reaction domain details the preparation of substances, enabling scientists to investigate specific reaction pathways with reaction search queries. The literature context includes citation, titles and abstracts, which are hyperlinked to the substance and reaction domains entries. CrossFire Beilstein offers scientists comprehensive detail, fast search speeds, and high-quality data indexed from over 175 journals. CrossFire Beilstein includes: Over 9.6 million compounds, Over 10 million chemical reactions, Over 300 million associated chemical property and bioactivity records, including data describing pharmacodynamics and environmental toxicology, transport, and distribution all experimental data Over abstracts and titles indexed from the primary organic chemical literature since 1980, Over bioactive compounds. CrossFire Gmelin The Crossfire Gmelin Database is the world s most comprehensive data collection in organometallic and inorganic chemistry, covering literature from the year 1772 to today. The database contains 2.4 million compounds, 1.8 million reactions, 1.2 million citations, including titles and abstracts from 1995 and over 100 million experimental property data. The Gmelin database is fully searchable by structures, substructures, and reactions. The data are indexed from 62 journals. With simple queries, more than 800 chemical and physical data fields, including electrical, magnetic, thermal, crystal, and physiological data, can be accessed to provide relevant answers. CrossFire Gmelin answers needs in material science, catalysis, and the semiconductor industry. Gmelin also complements the Beilstein database with organometallic and inorganic content. CrossFire Gmelin is also organized around three contexts: substances, reactions and citations. Thomson Scientific Index Chemicus Index Chemicus from Thomson Scientific, a text- and substructure-searchable database, reports over 200,000 new compounds each year, with coverage of over two million structures published in the literature since Covering the world's leading organic chemistry journals, Index Chemicus offers full graphical summaries, important reaction diagrams, complete bibliographic information, citation, and author abstracts. Key Advantages & Capabilities: Provides researchers with new and innovative organic chemistry, helping them keep up with the latest research, find new ideas for projects, and track other research groups' progress, Delivers superior, more thorough search results via substructure searching, Allows users to quickly view reaction schemes and find the results that they need by the use of full graphical summary displays, Links to citation data. 2/14

3 Database - updated monthly; back-years to 1993 MDL Patent Chemistry Database MDL Patent Chemistry Database (PCD) is a factual database to find structure searchable chemical reactions, compounds and compounds property data from organic chemistry and life science patents since It is the only database to index not only reactions and compounds with data, but also prophetic compounds and analogous reactions mentioned in the patent, for which no specific data (such as yield or spectral data) are given. The database covers patent publications from the following research areas [International Patent Class in brackets]: Organic Chemistry [C07] Drugs [A61K] Biocides (Agrochemicals, Detergents) [A01N] Dyes [C09B] The current release (Nov. 2006) contains about 2.6 million chemical reactions, about 3.3 million organic, inorganic, organometallic (and polymeric) compounds and associated property data from about 400,000 Organic Chemistry and Life Science patent publications - World (WO; ), United States (US; ) and European (EP; ). Updated bi-weekly, the MDL Patent Chemistry Database can be searched via MDL CrossFire Commander V7.0 SP2 (or SP1) and MDL DiscoveryGate/ Compound Index. Focus: For reactions not only the reaction scheme is given, but also the complete experimental procedure reaction texts from the patent document. Detailed spectral description (NMR peaks, IR peaks ) are often given for reaction products. Reactions are indexed with InfoChem ClassCodes, which enables users to find similar reactions in all DiscoveryGate-reaction databases including Beilstein. Prophetic Compounds: PCD indexes not only specific defined compounds with data, but also more than 1 million Prophetic Compounds, where the inventor states, that they can be prepared analogously to given preparation methods, but gives no data (e.g. yield, spectral data). Claims text can be searched in combination with structure and reaction searching. Markush structures and Markush reaction schemes* are appended to the claim text for easy relevance check. Markush Family*: Markush structures* have been manually linked to the corresponding specific examples (real compounds, prophetic compounds) via their Registry Numbers. This allows viewing the specific defined examples from a Markush Family*. Measured numerical bioactivity and application data* like drug-target-binding-constants Ki, Inhibition Concentration IC50, Effective Concentration EC50, Lethal Dose LD100 are given for specific compounds Compound Identifier in Patent*: For all compounds the compound identifier used by the inventor in the patent - is given to allow an easy finding of the compound in the original patent document. Location in Patent*: Page number, where compound/reaction is mentioned in the patent document. (* From publication date Dec 2003 onwards) 3/14

4 Derwent World Patents Index The Derwent World Patents Index (Derwent WPI) is the most comprehensive database of valueadded patent documents published in the world. Whether you are interested in patents for their technical content, for business planning and development, or for protecting the innovations within your own organization, Derwent WPI gives you the most complete picture possible. The Derwent WPI database currently contains over 11 million unique basic patent records. Equivalent filings are added to these records to form a patent family. Each year, more than 1.5 million patent documents are added to the database from 40 patent-issuing authorities. New patent specifications are regularly indexed, abstracted and updated in Derwent World Patents Index, including value added indexing terms and data associated with the Derwent Chemistry Resource, a unique chemical structure database. MDL Drug Data Report MDL Drug Data Report is a database covering the patent literature, journals, meetings and congresses. Produced by MDL and Prous Science, the database contains over 100,000 biologically relevant compounds and well-defined derivatives, with updates adding about 10,000 a year to the database. You can search the database by structure or by relevant data fields. MDL also offers MDL Drug Data Report 3D. Coverage: 1988-present; updated monthly. Focus: Drugs launched or under development, as referenced in the patent literature, conference proceedings, and other sources; descriptions of therapeutic action and biological activity; tracking of compounds through development phases. MDL Comprehensive Medicinal Chemistry Derived from the Drug Compendium in Pergamon's Comprehensive Medicinal Chemistry, the MDL Comprehensive Medicinal Chemistry database provides 3D models and important biochemical properties including drug class, logp, and pka values for over 7,500 pharmaceutical compounds (1900-present). MDL updates the database annually with compounds identified for the first time in the United States Approved Names (USAN) list. Coverage: 1900-present; updated annually. Focus: Compounds used or studied as medicinal agents in humans; pharmacological agents; biologically active compounds; measured and estimated logp and pka values. National Cancer Institute databases The National Cancer Institute Databases replaces the National Cancer Institute 94.1 database and contains 213,628 2D structures with corresponding 3D models generated using CORINA 2.4 from Molecular Networks. Four publicly available National Cancer Institute databases were consolidated to produce this data set: The NCI 127K database, consisting of 127,000 structures with CAS registry numbers, The Plated Compounds database, containing 140,000 non-proprietary samples, which are offered to the extramural research community, The AIDS Database, containing 42,687 entries that have been tested for AIDS antiviral activity, The Cancer database, containing dose response data for 37,836 compounds tested for the ability to inhibit the growth of human tumor cell lines. 4/14

5 This is one of two National Cancer Institute databases that MDL now offers. These databases are provided as a public service to MDL customers and there are no maintenance charges, nor implied intent to update the files. xpharm xpharm is a fully interactive database of information about agents, molecular targets, related disorders and the principles that govern their interactions. xpharm will be your first stop for reliable, authoritative information on all aspects of pharmacology. Use xpharm to: Select appropriate targets for screening of new compounds Predict adverse effect Identify experts in selected areas of research Prepare lecture materials Unsurpassed Pharmacology Content xpharm s content has been organized and commissioned by an outstanding editorial board led by Executive editors S.J.Enna and David B. Bylund. xpharm s content is rich in the numerical data used to define pharmacological relationships; it is written in a concise, citation-rich style that permits easy reading and assimilation of information. All records in xpharm are indexed and interlinked. xpharm contains detailed integrated records on: Targets Disorders Principles Agents An easy-to-use browsable table of contents allows researchers to peruse the entire contents of xpharm to locate the needed information. Formats & Updates: Internet weekly updated Database updated every 6 months, back files to 1986 FTP updates delivered every 6 months PharmaPendium TM PharmaPendium is a unique online resource that puts drug safety data of US approved drugs at a researcher's fingertips. It is the only product that provides searchable access to the full text of hundreds of FDA Approval Packages, which can save researchers, information specialists and regulatory affairs weeks or months because they no longer have to order the relevant package or page through scanned or print documents to find needed information. PharmaPendium shows an overview of pre-clinical, clinical and post-market safety data for US approved drugs, all on one page. This allows researchers to determine which effects seen in animals translate to humans. Who needs PharmaPendium? Drug safety researchers Toxicologists Safety pharmacologists Information specialists DMPK researchers Regulatory affairs 5/14

6 Searches hundreds of FDA approval packages to find valuable research data on animal and human studies. Gets a longitudinal view of preclinical, clinical and post-market drug safety data. Reviews and export gold standard preclinical and clinical data for US approved drugs and share the results with colleagues to assess safety of your candidate. It also provides five pathways into drug safety information: drug (class) adverse effect / toxicity target structure search text search with synonyms Find the information you need fast PharmaPendium can answer questions such as: What other drugs have the same combination of adverse effects as my drug candidate? Show me the details of the relevant pre-clinical and clinical studies. Show me pre-clinical, clinical and post-market information on FDA approved drugs with a specific substructure. Show me all of the adverse effect and toxicity data for drugs that interact with the same target(s) as the compound I am researching. Find the best animal and clinical pharmacokinetics data for the drugs in my drug class (Cmax, Tmax, etc.). Show me drug safety information of competitor drugs in the same therapeutic class as my candidate. Content Sources With PharmaPendium, scientists can easily obtain information from the following sources: Primary content sources (full text, searchable) FDA Approval Packages Mosby's Drug Labels FDA Adverse Event Reporting System (AERS) Meyler's Side Effects of Drugs Secondary content sources (extracted data, searchable) Toxicity (RTECS) data for approved drugs extracted from the literature Pre-clinical and clinical data extracted from FDA Approval Packages Mosby's Drug Labels Meyler's side effect of Drugs Other content sources Drug Target data from xpharm Drug Metabolite data extracted from the literature Thesaurus PharmaPendium offers browsing of content and synonym searching for drug names (using Mosby's and EMTREE terms) and toxicity / side effect terms (using MedDRA and RTECS terms and terms extracted from FDA Approval data and literature). Link to NCBI PubChem Database PubChem is a data source now indexed in Compound Index. PubChem ( contains over 5 million small molecules with biological information, some pharmacological information, MESH terms and links to the no-fee PubMed 6/14

7 database (where corresponding article information can be obtained, for the relatively small set of compounds which have references to PubMed). This capability will especially help drug metabolism and pharmacokinetics (DMPK) scientists. GeneGo MetaDrug MetaDrugTM is a unique systems pharmacology platform designed for evaluation of biological effects of small molecule compounds on the human body. MetaDrug helps to solve such problems as drug s mechanism of action, toxicity and off-target effects, deduced from the structure and any kind of supplementary omics data. The product is intended to be used by medicinal chemists and biologists active in pre-clinical areas of high content and high throughput screening, bioassays, hit-to-lead libraries, lead optimization, PK and toxicogenomics. MetaDrug is available in two business models: Web portal access - Named or concurrent licenses that provide access to the company s secure server using the Internet protected by Verisign. Enterprise solution - Installation of MetaDrug behind the customer s firewall. MetaDrug becomes part of the intranet network and can be used as an internal informatics system. In house installation gives customers hierarchical access to accounts, group sharing, and behind-the-firewall data exchange security Annual or multi-year licenses are available. Biological effect of new compounds effects Evaluate potential indications, off-target effects, mechanism of action and toxicity starting from chemical structure Parses individual and batch structures in MOL or SD files Substructure and similarity search through bioactive chemistry space in GeneGo databases Most relevant cellular processes, toxic categories, diseases and conditions Compound-centered networks and interpretation Function-based prioritization among series of compounds based on biological effect Manually curated networks for diseases, toxic categories and cellular processes Generates signature networks for drug response Intuitive pathway editing and visualization tools Multiple network generating algorithms Seamless integration with Elsevier MDL s DiscoveryGate family of databases Structure-based predictive features Rule-based prediction of major human phase I and II metabolites using over 80 key rules Sequential processing of metabolites for linking phase I and II metabolism Over 50 QSAR models for drug metabolizing enzymes, major toxicity targets and general toxic categories Adjustable model thresholds enables multidimensional property filtering Data export features for SAR table views in Excel Pathways and network analysis of accompanying omics data Parsers for microarray gene expression, proteomics, sirna screens, metabolomics and other highthroughput data Prioritization in multiple functional categories: diseases, toxicity, cellular processes and canonical pathway maps Enables concurrent visualization of multiple data types One-button comparison of toxicogenomics and drug effect gene expression profiles Reporting in Excel Content Unique manually curated database on xenobiotics effects Tens of thousands of human xenobiotic reactions 7/14

8 All marketed drugs with targets and downstream signaling Compounds and biologicals in clinical trials, with targets Kinetic data for many important enzymes of drug metabolism Comprehensive coverage of ligand-receptor interactions from peer-review literature and patents Licensing models that enable users to add their own proprietary data Unique pathway maps for diseases, toxicities and drug effect System design Unique, Oracle-based database architecture Compatibility with pharmaceutical IT infrastructure Seamlessly integrated with MetaCore, MapEditor and MetaLink Server-client architecture GeneGo MetaCore MetaCore TM is an integrated software suite for functional analysis of experimental data. The scope of data types includes microarray and SAGE gene expression, SNPs and CGH arrays, proteomics, metabolomics, Y2H and other custom interactions. MetaCore is based on a proprietary manually curated database of human protein-protein, protein-dna and protein compound interactions, metabolic and signaling pathways and the effects of bioactive molecules. The analytical package includes easy to use, intuitive tools for data visualization, mapping and exchange, multiple networking algorithms and filters. MetaCore is available in two business models: Web portal access - Named or concurrent licenses that provide access to the company s secure server using the Internet protected by Verisign. Enterprise solution - Installation of MetaCore behind the customer s firewall. MetaCore becomes part of the intranet network and can be used as an internal informatics system. In house installations give customers hierarchical access to accounts, group sharing, and behind-the-firewall data exchange security. Annual or multi-year licenses are available. Product highlights Analyze ANY experimental high-throughput data in the context of pathways, networks and maps Identify affected pathways and networks for your lists of genes, proteins, transcripts or compounds Easy-to-use workflow wizards for data upload, analysis and interpretation Concurrently visualize and cross-validate different types of data Choose from ten network-creating algorithms and multiple filters for optimal data mining Take advantage of the annotated content database that took over 100 man-years to assemble Over 500 interactive maps with consensus knowledge of human biology Visualize mouse, rat, worm, fly, yeast and dog data on maps and networks Mine your data in real time: multiple data points, conditions, time-series, treatments through animated videos Apply disease, tissue, functional processes and sub-cellular localization filters to focus networks on information relevant to study Have total control over settings: your choice of ranges, colors, data sets, etc. Select, save & export high resolution images of pathways and networks Data analysis tools Multiple ways to generate networks 10 network-generating algorithms Specificity filters for tissues, functional processes, sub-cellular localization, interaction mechanisms, species etc. Enrichment analysis in multiple ontology s: GeneGo annotated processes, canonical pathways, GO processes and human diseases Statistical tests and scoring for network relevance to the dataset, functional processes, cellular pathways and transcription factors 8/14

9 Multiple types of P-value calculations for enrichment analysis and network prioritization Multiple logical operations on networks and gene lists Over 2 million resolved synonyms for genes, proteins and compounds Custom network edititing Query for genes, proteins, compounds, reactions, pathways, drugs and diseases Curated content Unique manually curated database of human protein-protein, protein-dna, Protein-RNA and protein-compounds interactions Human endogenous metabolism: enzyme-encoding genes, reactions and metabolites Three domains of human interactions: target-ligand, signaling and signal transduction and core metabolism Over 500 original canonical pathways maps for signaling and metabolism Proprietary GeneGo ontology for cellular and molecular processes and human diseases Pre-built process and disease networks Integration, visualization and management of experimental data Universal parser for molecular data: Affymetrix, Agilent, Illumina, GE Healthcare expression arrays, SNP arrays, sirna and proteomics Unique parsers for metabolomics data and custom protein-protein interactions Interconnectivity and cross-referencing with P-values between maps, networks and functional processes Drug targets and associated drugs Disease genetic data and disease networks Seamless integration and file exchange with Resolver TM, GeneSpring TM, Spotfire s Decision Site TM, ArrayTrack, GeneData s Expressionist and Phylosopher products, Inforsense s KDE, SciTegic s Pipeline Pilot, Xenobase and other data analysis packages including our customers internal software and databases Instant mapping of multiple, heterogeneous experimental data sets onto functional maps and pathways Concurrent visualization of multiple data types on the same maps or networks Concurrent visualization of multiple experiments, time points & dosages through animated graphics Flexible switching between data sets and controls User controls: colors scheme, value ranges, thresholds Mapping human, rat, mouse, fly, worm, dog, chicken, chimpanzee and yeast orthologs on maps and networks Password-protected individual and group accounts Import/export, store networks, maps and gene lists in different formats Comprehensive reports produced from the compare experiments workflow System design & access Oracle database architecture Seamless compatibility with customer s IT infrastructure Web-based access or "behind-the-firewall" internal server installation Named user or concurrent licenses MDL Metabolite Database MDL Metabolite Database comprises a database and browsing interface. The Metabolite Database is the only source that uses information from multiple studies to assemble structural metabolic database entries for particular parent compounds. Coverage: 1901-present; updated semi-annually. 9/14

10 Focus: Xenobiotic compounds and biotransformations (primarily medicinal drugs); indexing of path and scheme information; experimental data from in vivo and in vitro studies. Sources: Biotransformations of Drugs ( ), Pharmacokinetics ( ), Original metabolism literature and new drug applications (1990-present), Proceedings from International Society for the Study of Xenobiotics (ISSX) meetings. MDL Toxicity Database MDL Toxicity Database is a structure-searchable bioactivity database of over 150,000 toxic chemical substances. Toxicity Database contains data from in vivo and in vitro studies of acute toxicity, mutagenicity, skin and eye irritation, tumorigenicity and carcinogenicity, reproductive effects and multiple dose effects. Information covered includes species of organism studied, tissue studied, route of administration, dose, endpoint, toxic effects descriptors, severity of response, CAS Registry Numbers, Beilstein Registry Numbers, chemical names and synonyms, molecular formula and molecular weight. The Toxicity database includes references to the original publications reporting the toxicity data and to relevant review articles when applicable. Coverage: present. Data is abstracted from over 2,950 worldwide sources, including: scientific journals, conference proceedings, symposia reports, reviews, and more. MDL obtains the data found in Toxicity from the Registry of Toxic Effects of Chemical Substances (RTECS) database. The Toxicity database is updated quarterly. Focus: Toxic properties of chemical substances. Drugs and drug development compounds constitute 65% of the substances covered. The remainder consists of agrochemicals, industrial and petrochemicals, plastics, flavors and fragrances, plant and animal extracts, inorganic compounds, organometallics, and others. Source: Registry of Toxic Effects of Chemical Substances (RTECS) database produced by the National Institute of Occupational Safety and Health (NIOSH). MDL Available Chemicals Directory MDL Available Chemicals Directory provides access to pricing and supplier information for over 400,000 research-grade and bulk chemicals, making it the largest structure-searchable database of commercially available chemicals. The Available Chemicals Directory includes information on product purities, forms, grades, available quantities, and prices, along with supplier and distributor contact information. The database is available with 2D structures or 3D molecular models. Search by structure or data: You can identify chemicals using structure or substructure, chemical name or synonym, CAS Registry Numbers, or molecular weight and formula as the search criteria. Focus: Commercially available research-grade and bulk chemicals. Source: Current catalog information from 655 worldwide suppliers. MDL Screening Compounds Directory The MDL Screening Compounds Directory (formerly Available Chemicals Directory-Screening Compounds database) consolidates supplier data from vendors that offer product lines and sample collections specifically designed to meet the demands of high-throughput screening programs. Screening Compounds Directory provides consistent and unified access to supplier information for over 2 million chemicals. The database includes information on product purities, formats, available 10/14

11 quantities, and prices. Screening Compounds Directory also gives the addresses, addresses, and phone numbers of the suppliers and their distributors. Focus: Diverse, "drug-like" compounds for high-throughput screening programs. Source: Fifty-one (51) product listings from global suppliers of drug-like compounds. ChemInform Reaction Library This compilation of 100 years of chemical literature citations contains reactions of current interest to synthetic chemists, with an emphasis on novel methodology. The collection is selected, abstracted, and organized by FIZ CHEMIE Berlin and then classified according to reaction type using InfoChem's reaction classification technology. ChemInform Reaction Library provides convenient access to full reaction schemes. Coverage: 1900-present (223,700 literature references); updated semi-annually. Focus: New reactions and syntheses, including enzymatic and microbial processes; applications of known methods in new areas; heterocyclic chemistry, natural product, and organo-element synthesis; new catalysts. Source: Historical data from , ChemInform, 1991-present. Current Synthetic Methodology This database contains the most innovative and significant reactions since 1992, emphasizing new synthetic methodologies, reactions that use new reagents or an important modification of known reagents, and regio-, chemo-, and stereoselective reactions carried out on multi-functional substrates. Current Synthetic Methodology updates the Reference Library of Synthetic Methodology, selecting representative novel methodologies to illustrate specific synthetic techniques. The collection is selected, abstracted, and organized by FIZ CHEMIE Berlin. Coverage: 1992-present (29,100 references); updated semi-annually. Focus: Novel methodology and new reagents, especially selective transformations; applications of known methods in new areas; heterocyclic chemistry; organo-element synthesis; catalysis. Source: Selections from ChemInform, 1992-present. Derwent Journal of Synthetic Methods An electronic version of Derwent's Journal of Synthetic Methods, the Journal of Synthetic Methods database is a compilation of chemical reaction literature from international journals and patent sources. The database contains detailed information about new synthetic methods, high-yield functional group transformations, improvements to existing methodologies, and reactions representing the most significant new patents. Coverage: 1980-present (62,100 references); updated annually. Focus: New synthetic methods; applications of known methods; novel functional group and ring chemistry; protected group chemistry. 11/14

12 Source: Journal of Synthetic Methods, 1980-present. MDL Reference Library of Synthetic Methodology This broad collection of novel organic synthetic methodologies covers functional group transformations, metal-mediated chemistry, and asymmetric syntheses, as well as reactions abstracted from Dr. William Theilheimer's Synthetic Methods of Organic Chemistry. Coverage: (121,000 references); no updates. Focus: Novel methodology, especially selective transformations; new applications of known reagents; asymmetric synthesis; catalysis. Source: Six MDL databases in combination: THEILHEIMER (Synthetic Methods of Organic Chemistry ); Current Literature File (primary literature ); Core (primary literature through 1991); CHIRAS (asymmetric synthesis literature ); METALYSIS (metal-mediated transformation literature ); and Comprehensive Heterocyclic Chemistry (Pergamon Press, volumes 1-8, 1984). MDL Solid-Phase Organic Reactions This database of reactions of small organic molecules on solid support is designed to meet the needs of combinatorial chemistry groups. Solid-Phase Organic Reactions includes extensive data on solidphase organic chemistry, such as information on polymeric materials, linkers, solid supports, and protecting groups. The collection is selected, abstracted, and organized by FIZ CHEMIE Berlin. Coverage: 1963-present (2,130 references); updated quarterly. Focus: Coupling to and from solid support; insertion of linkers and spacers; functional group protection/deprotection; modification of solid-support functionalities. Source: Original literature, 1963-present. Organic Syntheses database An electronic version of the entire series of Organic Syntheses (first published in 1921), Organic Syntheses offers access to new general synthetic methods and proven compound preparations. Organic Syntheses also contains information on product purity, product yield, and hazards, as well as references to the original procedures and journal sources. Coverage: 1921-present (4,700 references); updated annually. Focus: Diverse, independently tested and optimized procedures; model syntheses and preparations of common reagents; explicit experimental details and hazard warnings. Source: Organic Syntheses, 1980-present. Thomson Scientific Current Chemical Reactions Current Chemical Reactions (CCR) covers the latest synthetic methods reported in the world's leading organic chemistry journals, providing access to over 400,000 reactions. 12/14

13 For each reaction, CCR presents complete reaction diagrams, critical conditions, bibliographic data, and author abstracts. CCR is updated monthly. Key Advantages & Capabilities Saves users time by providing concise descriptions of the latest syntheses. Enables users to access comprehensive reaction information, including detailed experimental conditions, full reaction flows, product yields, and key step indicators Allows chemists to conduct highly targeted searches of the journal literature with a number of key access points: reaction type, products and reagents, journal, author or research institution. Integrated Major Reference Works (IMRW) IMRW is a product from MDL and InfoChem GmbH which provides electronic content on some specific chemical reference works containing authoritative sources on the scope and limitations of synthetic methods. Interest: Integrated with MDL synthetic methodology databases using InfoChem ClassCodes find examples of related reaction data in other databases Integrated with LitLink link to full text articles and on-line sources of the original article* ( *Access to and user of certain 3rd party content requires subscribers to secure such rights directly from the content provider) Only place where you can search 2 Reference Works with one query. (User will only see results from the references works to which they have a license) Queries allow structure, substructure, reaction substructure, reaction-type and reaction-related field searching, as well as full text searches Content: Comprehensive Asymmetric Catalysis (CAC) CAC is the electronic version of the three volumes Catalytic methods for asymmetric organic synthesis (E.N. Jacobsen, A Pfaltz H Yamamoto) that critically reviews catalytic methods for asymmetric organic synthesis, providing a definitive, complete presentation of the state of synthetic chemistry. Presents relevant coverage of the basic mechanisms and stereo induction: Scope and limitations Startegies and perspectives for future development in this area of chemistry. Catalyst availability, preparation, handling, efficiency, loading, recovery, toxicity as well as special conditions and equipment, and scale and safety issues Comprehensive organic Functional Group Transformations (COFGT) It is the electronic version of the seven volumes of Preparation & transformation of functional groups in organic chemistry (by A.R. Katritzky, O. Meth-Cohn and C. W. Rees) published by Elsevier Science. That series: highlights preparation and transformations of functional groups that form the basis of all chemical and biological activity. covers the subject of organic synthesis in terms of functional group transformations details analysis of all known (and in some cases unknown) functional groups, and the methods of their construction, introduction and interconversion. 13/14

14 All queries allow complete structure, substructure, reaction substructure, reaction-type and reactionrelated field searching. OHS Pure Substance MSDS Database The OHS Pure Substance MSDS Database is an independently researched and authored database of 18,000 Pure Substance MSDSs (Material Safety Data Sheets) updated and maintained quarterly. This database features the ANSI Standard, 16-section MSDS format and contains professional environmental, health, and safety data. The OHS database includes component information, toxicological information, regulatory data, physical properties, DOT/OSHA/EU hazard flags, and risk and safety phrases. The OHS Pure Substance MSDS Database is used by Environmental Health and Safety (EH&S) professionals in the chemical, pharmaceutical, and biotech industries. 14/14