SciFinder

Medline covers primarily biomedical literature, containing more than 13 million citations (October, 2002) of articles from more than 4600 journals published since 1958 [18]. The database covers basic biomedical research, clinical sciences, dentistry, pharmacy, veterinary medicine, pre-clinical sciences, and life science. Medline, a subset of PubMed, is a bibliographic database produced by the US Nationcil Library of Medicine (NLM). The database is available free of charge via SciFinder Scholar or PubMed [19]. 

Then, in the early and mid-1 990s, CAS developed SciFinder and SciFinder Sc ho lar to address the needs of professional chemists and other scientists. SciFinder was developed to allow more intelligence in data access, such as smart structure searching, research topic exploration, advanced author searching, and powerful refine and analysi.s capabilities including categorize and panorama". 

In the mid and late 1990s CAS developed the ChemPort module as a linked gateway to primary literature. The CAS online delivery clients arc able to move into CbemPort to display primaiy literature by presenting stored or dynamically generated URLs to ChemPort. Conversely, ChemPort will link a user to SciFinder to provide access to the CAS databases. 

Access to CAS databases is only possible on computers on which the SciFinder software has been installed. Tt is directly available at CAS, computational seiwice centers, or library seiwices with online access. The database is not free of charge access can be obtained only via these services. After the licensed software has been installed and online access is obtained, the program tan be started. 

Figure 5-13. The results of a substance search are displayed In the SciFinder Scholar window.

SdFinder Scholar http //www.cas.org/SCIFINDER/SCHOLAR2002 access only with hcense agreement)... 

Ridley DD. Strategies for chemical reaction searching in SciFinder. J Chem Inf Comput Sci 2000 40 1077-84. 

Several of the software tools used most frequently today include Beilstein Crossfire (information at www.mdli.com) and SciFinder from the Chemical Abstracts Service (www.cas.org/scifinder/) for structure-based reaction searches. Reagent availability information is often searched with MDL s ACD and CAS s SciFinder. Special compound collections and contract services offered by new companies such as ChemNavigator (www.chemnavigator.com)... 

We should not minimize the effects that electronic searching of patents has had on the business of research. In 1990, CAS introduced MARPAT, which is a database of Markush (generic) structures found in patent documents [1]. This database provided a valuable tool for patent searching in a more comprehensive way than had been available previously. In 1995, CAS launched SciFinder, which provided access to the patent literature for chemists on their desktops. Using the SciFinder interface, one may search for research topics, authors, companies, or structures/reactions. From a practical viewpoint, SciFinder did more to enhance the searching capabilities of the medicinal chemist than any other tool. Even today, SciFinder continues to provide a first pass through the patent literature when chemists want to include patents in their searching. Indeed, when a search is performed, patent references are included in the answer set. Only very recently have there been additional tools to search the patent literature that have found widespread use. 

Searching journal information continues to be the primary use of SciFinder for the medicinal chemist. One finds it especially useful for searching various topics, for instance, anti-inflammatory treatments. When performing structure/reaction-based searches, many chemists also use Beilstein CrossFire in conjunction with SciFinder. The reaction information from these systems is often complementary, and it is quite useful to have both SciFinder and CrossFire in a medicinal chemistry group. However, companies with restricted budget may have to choose one or the other. 

Research on the identification of vanilloid antagonists has been pursued more intensively in industry than in academia. Thus, a SciFinder search for new chemical entities endowed with this type of activity pulled out 34 entries from the proprietary literature, and only 14 from journal articles during the period January 2004 June 2006. The patent literature can be difficult to evaluate and compare with the published data. Bioactivity is often not disclosed (or commented), and activity can be broadly claimed for a series of lead structures without specifying their optimal substitution. On the other hand, analysis of the patent literature does not only complement the published data, but also offers a preview of information that will be eventually disclosed and detailed in journals. Given the relevance of proprietary literature in the realm of vanilloids research, the main trends emerging from its analysis will be briefly summarized. 

Advanced Chemistry Development (ACD) Software Solaris V4 (1994-2004) www.scifinder.scholar.com. 

All chemical shift data presented in this book come either from the primary literature or from spectra obtained in the author s laboratory. All spectra actually depicted in the book derive from spectra obtained by the author at the University of Florida. All data from the literature were obtained via searches using MDL Crossfire Commander or SciFinder Scholar. Persons interested in accessing such primary literature can do so readily via these databases by simply searching for the specific compound mentioned in the text. 

Regarding the multitude of NMR chemical shifts of specific compounds that are provided within the text, references for chemical shifts of individual compounds for the most part will not be cited. It is assumed that if such references are required, the reader can find them by a quick search using either MDL Crossfire Commander or SciFinder Scholar. The author found MDL Crossfire Commander the superior database for locating specific NMR data. 

A classic pharmaceutical science textbook might have defined poor solubility as anything below a solubility of 1 g mL-1 (2 mol L-1 solution for a molecular weight of 500 Da) at pH 6.5 (or pH 7). This classic view is reflected in the Chemical Abstracts SciFinder 2001 solubility range definitions for solubility calculated using Advanced Chemistry Development (ACD) Software Solaris V4.67. These semi-quantitative ranges for molar solubility are very soluble, 1 mol L 1 < solubility soluble, 0.1 mol L 1 < solubility < 1 mol L 1 slightly soluble, 0.01 mol L 1 <... 

Source Chemical Abstracts, American Chemical Society (Scifinder Scholar, Version 2004). 

SciFinder at http //www.cas.org/SCIFINDER/scicover2.html is an easy-to-use desktop research tool that allows the user to explore research topics, browse scientific journals, and access information on the most recent scientific developments. SciFinder Scholar is a desktop research tool designed especially for use by students and faculty to easily access the information in the CAS databases. With either tool, one can search Chemical Abstracts and the CA Registry by author name, research topic, substance identifier, chemical structure, or chemical reaction. 

Example 3. Errors could be found also in Chemical Abstracts SciFinder [1]. All the errors we encountered originate in the primary publications their appearance in SciFinder illustrates how such errors can propagate (since SciFinder is a very popular resource). For example, the compound RB-380 (CAS 187454-94-0), published in [30] (original molecule name 24) has a ring size of 14 atoms, instead of the correct 13 ... 

The examples from SciFinder and the Merck Index are not intended to question the quality of these products, which we consider to be outstanding. They are invaluable resources to many chemists worldwide, and the error rate in these two databases is insignificant if one takes into account the enormous volume of indexed data. One of us has published a structure-activity paper on HIV-protease inhibitors [31] where a modified peptide was present in both the training set and the test set. Al Leo of Pomona College has recently [32] detected 100 chemical and name errors in the printed version of the sixth edition of Burger s Medicinal Chemistry [33], errors that will be corrected in the on-line edition [34]. One can never be too careful in verifying the available information, in particular if one is to invest a significant amount of resources in that area. 

Chemical Abstracts online and its search module, SciFinder, are available from the American Chemical Society, http //www.cas.org/SCIFINDER/ 2004. The Beilstein Information Systems is available from http //www.beilstein.com/. 

Unlike the lanthanides, the actinides U, Np, Pu, and Am have a tendency to form linear actinyl dioxo cations with formula MeO and/or Me02. All these ions are paramagnetic except UO and they all have a non-spherical distribution of their unpaired electronic spins. Hence their electronic relaxation rates are expected to be very fast and their relaxivities, quite low. However, two ions, namely NpO and PuOl", stand out because of their unusual relaxation properties. This chapter will be essentially devoted to these ions that are both 5/. Some comments will be included later about UOi (5/°) and NpOi (5/ ). One should note here that there is some confusion in the literature about the nomenclature of the actinyl cations. The yl ending of plutonyl is often used indiscriminately for PuO and PuOl and the name neptunyl is applied to both NpO and NpOi. For instance, SciFinder Scholar" makes no difference between yl compounds in different oxidation states. Here, the names neptunyl and plutonyl designate two ions of the same 5f electronic structure but of different electric charge and... 

Any comprehensive survey of impurities in pharmaceuticals is completely beyond the scope of this contribution. A SciFinder search using the terminology pharmaceutical impurities uncovered 1933 citations. Sorting those citations by year gave a rather interesting picmre of the importance of this area of investigation. 

Searching is made much simpler with computer systems such as SciFinder Scholar where the name or CAS can be entered, and references related to that compound obtained. 

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