Chemistry

published or submitted for publicatio

Bibliometric studies on single journals: a review

This paper covers a total of 82 bibliometric studies on single journals (62 studies cover unique titles) published between 1998 and 2008 grouped into the following fields; Arts, Humanities and Social Sciences (12 items); Medical and Health Sciences (19 items); Sciences and Technology (30 items) and Library and Information Sciences (21 items). Under each field the studies are described in accordance to their geographical location in the following order, United Kingdom, United States and Americana, Europe, Asia (India, Africa and Malaysia). For each study, elements described are (a) the journal’s publication characteristics and indexation information; (b) the objectives; (c) the sampling and bibliometric measures used; and (d) the results observed. A list of journal titles studied is appended. The results show that (a)bibliometric studies cover journals in various fields; (b) there are several revisits of some journals which are considered important; (c) Asian and African contributions is high (41.4 of total studies; 43.5 covering unique titles), United States (30.4 of total; 31.0 on unique titles), Europe (18.2 of total and 14.5 on unique titles) and the United Kingdom (10 of total and 11 on unique titles); (d) a high number of bibliometrists are Indians and as such coverage of Indian journals is high (28 of total studies; 30.6 of unique titles); and (e) the quality of the journals and their importance either nationally or internationally are inferred from their indexation status

The Journal of Computer-Aided Molecular Design: a bibliometric note

Summarizes the articles in, and the citations to, volumes 2-24 of the Journal of Computer-Aided Molecular Design. The citations to the journal come from almost 2000 different sources that span a very wide range of academic subjects, with the most heavily cited articles being descriptions of software systems and of computational methods

A bibliometric analysis of the Journal of Molecular Graphics and Modelling

This paper reviews the articles published in Volumes 2-24 of the Journal of Molecular Graphics and Modelling (formerly the Journal of Molecular Graphics), focusing on the changes that have occurred in the subject over the years, and on the most productive and most cited authors and institutions. The most cited papers are those describing systems or algorithms, but the proportion of these types of article is decreasing as more applications of molecular graphics and molecular modelling are reported

Auditing scholarly journals published in Malaysia and assessing their visibility

The problem with the identification of Malaysian scholarly journals lies in the lack of a current and complete listing of journals published in Malaysia. As a result, librarians are deprived of a tool that can be used for journal selection and identification of gaps in their serials collection. This study describes the audit carried out on scholarly journals, with the objectives (a) to trace and characterized scholarly journal titles published in Malaysia, and (b) to determine their visibility in international and national indexing databases. A total of 464 titles were traced and their yearly trends, publisher and publishing characteristics, bibliometrics and indexation in national, international and subject-based indexes were described

Graph theoretic methods for the analysis of structural relationships in biological macromolecules

Subgraph isomorphism and maximum common subgraph isomorphism algorithms from graph theory provide an effective and an efficient way of identifying structural relationships between biological macromolecules. They thus provide a natural complement to the pattern matching algorithms that are used in bioinformatics to identify sequence relationships. Examples are provided of the use of graph theory to analyze proteins for which three-dimensional crystallographic or NMR structures are available, focusing on the use of the Bron-Kerbosch clique detection algorithm to identify common folding motifs and of the Ullmann subgraph isomorphism algorithm to identify patterns of amino acid residues. Our methods are also applicable to other types of biological macromolecule, such as carbohydrate and nucleic acid structures