Willett, P (Willett, Peter) A bibliometric analysis of the literature of chemoinformatics ASLIB PROCEEDINGS, 60 (1): 4-17 2008

[Eugene Garfield]

E-mail Address: p.willett at sheffield.ac.uk 

Author(s): Willett, P (Willett, Peter) 

Title: A bibliometric analysis of the literature of chemoinformatics 

Source: ASLIB PROCEEDINGS, 60 (1): 4-17 2008 

Language: English 

Document Type: Article 

Author Keywords: information retrieval; chemistry; research 

Keywords Plus: DRUG DISCOVERY; PREDICTION; DATABASES; PROTEIN; SEARCH; 
INFORMATION; VALIDATION; PROGRAM; DOCKING; IMPACT 

Abstract: Purpose - The purpose of this article is to analyse the 
literature of chemoinformatics, a subject that has arisen over the last 
few years and that draws on techniques from a range of disciplines, most 
notably chemistry (particularly computational and medicinal chemistry), 
computer science and information science.

Design/methodology/approach - Discusses subject, author and citation 
searches of (principally) the web of knowledge database.

Findings - The Journal of Chemical Information and Modeling (previously 
the Journal of Chemical Information and Computer Sciences) is the core 
journal for the subject, but with many significant papers being published 
in journals whose principal focus is molecular modelling, quantitative 
structure-activity relationships or more general aspects of chemistry. The 
discipline is international in scope, and many of the most cited papers 
describe software packages that play a key role in modern chemoinformatics 
research.

Originality/value - This is the first bibliometric study of 
chemoinformatics, and one of only a very few that consider the 
bibliometrics of computational chemistry more generally. 

Addresses: Univ Sheffield, Krebs Inst Biomolec Res, Sheffield, S 
Yorkshire, England; Univ Sheffield, Dept Informat Studies, Sheffield S10 
2TN, S Yorkshire, England 

Reprint Address: Willett, P, Univ Sheffield, Krebs Inst Biomolec Res, 
Sheffield, S Yorkshire, England. 

E-mail Address: p.willett at sheffield.ac.uk 

Cited Reference Count: 47 

Times Cited: 0 

Publisher: EMERALD GROUP PUBLISHING LIMITED 

Publisher Address: HOWARD HOUSE, WAGON LANE, BINGLEY BD16 1WA, W 
YORKSHIRE, ENGLAND 

ISSN: 0001-253X 

DOI: 10.1108/000125308108,17335 

29-char Source Abbrev.: ASLIB PROC 

ISO Source Abbrev.: Aslib Proc. 

Source Item Page Count: 14 

Subject Category: Computer Science, Information Systems; Information 
Science & Library Science 

ISI Document Delivery No.: 338VD 

ALLEN FH
THE DEVELOPMENT OF VERSION-3 AND VERSION-4 OF THE CAMBRIDGE STRUCTURAL 
DATABASE SYSTEM 
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 31 : 187 1991 

BAJORATH J
CHEMOINFORMATICS CON : 2004 

BOHM HJ
Prediction of binding constants of protein ligands: A fast method for the 
prioritization of hits obtained from de novo design or 3D database search 
programs 
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 12 : 309 1998 

BROWN FK
ANNU REP MED CHEM 33 : 375 1998 

CHEN WL
Chemoinformatics: Past, present, and future 
JOURNAL OF CHEMICAL INFORMATION AND MODELING 46 : 2230 DOI 
10.1021/ci060016u 2006 

CLARK RD
Consensus scoring for ligand/protein interactions 
JOURNAL OF MOLECULAR GRAPHICS & MODELLING 20 : 281 2002
 
COOKE H
A historical study of structures for communication of organic chemistry 
information prior to 1950 
ORGANIC & BIOMOLECULAR CHEMISTRY 2 : 3179 DOI 10.1039/b409980j 2004 

DUNKER AK
Intrinsically disordered protein 
JOURNAL OF MOLECULAR GRAPHICS & MODELLING 19 : 26 2001 

ENGEL T
Basic overview of chemoinformatics 
JOURNAL OF CHEMICAL INFORMATION AND MODELING 46 : 2267 DOI 
10.1021/ci600234z 2006 

EWING TJA
DOCK 4.0: Search strategies for automated molecular docking of flexible 
molecule databases 
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 15 : 411 2001 

FLETCHER DA
The United Kingdom Chemical Database Service 
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 36 : 746 1996 

GARFIELD E
ANN ASIS T M NEWP RI : 2004 

GASTEIGER J
CHEMOINFORMATICS TXB : 2003 

GASTEIGER J
The central role of chemoinformatics 
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS 82 : 200 DOI 
10.1016/j.chemolab.2005.06.022 2006 

GASTEIGER J
HDB CHEMOINFORMATICS : 2003 

GILLET VJ
Identification of biological activity profiles using substructural 
analysis and genetic algorithms 
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 38 : 165 1998 

GOLBRAIKH A
Beware of q(2)! 
JOURNAL OF MOLECULAR GRAPHICS & MODELLING 20 : 269 2002 

HANN M
Chemoinformatics - a new name for an old problem? 
CURRENT OPINION IN CHEMICAL BIOLOGY 3 : 379 1999 

HANN MM
Molecular complexity and its impact on the probability of finding leads 
for drug discovery 
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 41 : 856 2001 

JACSO P
As we may search - Comparison of major features of the Web of Science, 
Scopus, and Google Scholar citation-based and citation-enhanced databases 
CURRENT SCIENCE 89 : 1537 2005 

JORGENSEN WL
J CHEM INF MODEL 45 : 1 2005 

KATRITZKY AR
J CHEM INF COMP SCI 40 : 1 2005 

KOKALJ A
XCrySDen - a new program for displaying crystalline structures and 
electron densities 
JOURNAL OF MOLECULAR GRAPHICS & MODELLING 17 : 176 1999 

LAVINE BK
CHEMOMETYICS CHEMOIN : 2005 

LEACH AR
INTRO CHEMOINFORMATI : 2003 

LEYDESDORFF L
Visualization of the citation impact environments of scientific journals: 
An online mapping exercise 
JOURNAL OF THE AMERICAN SOCIETY FOR INFORMATION SCIENCE AND TECHNOLOGY 
58 : 25 2007 

LINDAHL E
GROMACS 3.0: a package for molecular simulation and trajectory analysis 
JOURNAL OF MOLECULAR MODELING 7 : 306 2001 

MEHO L
J AM SOC INFORM SCI : 2007 

NOORDIK JH
CHEMINFORMATICS DEV : 2004 

ONODERA N
A bibliometric study on chemical information and computer sciences 
focusing on literature of JCICS 
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 41 : 878 2001 

ONODERA N
J COMPUTER AIDED CHE 4 : 1 2003 

OPREA TI
CHEMOINFORMATICS DRU : 2005 

OPREA TI
Is there a difference between leads and drugs? A historical perspective 
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 41 : 1308 2001 

OPREA TI
Property distribution of drug-related chemical databases 
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 14 : 251 2000 

PEARLMAN RS
Metric validation and the receptor-relevant subspace concept 
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 39 : 28 1999 

PLATTS JA
Estimation of molecular linear free energy relation descriptors using a 
group contribution approach 
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 39 : 835 1999 

RUSINKO A
Analysis of a large structure/biological activity data set using recursive 
partitioning 
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 39 : 1017 1999 

SCHAFTENAAR G
Molden: a pre- and post-processing program for molecular and electronic 
structures 
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 14 : 123 2000 

SUHR C
CHEM INFORM MANAGEME : 1992 

TAYLOR RD
A review of protein-small molecule docking methods 
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 16 : 151 2002 

WANG RX
Further development and validation of empirical scoring functions for 
structure-based binding affinity prediction 
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 16 : 11 2002 

WARR WA
218 AM CHEM SOC NAT 1999 

WARR WA
229 AM CHEM SOC NAT 2005 

WESSEL MD
Prediction of human intestinal absorption of drug compounds from molecular 
structure 
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 38 : 726 1998 

WILD DJ
Challenges for chemoinformatics education in drug discovery 
DRUG DISCOVERY TODAY 11 : 436 DOI 10.1016/j.drudis.2006.03.010 2006 

WILLETT P
Chemical similarity searching 
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 38 : 983 1998 

WILLETT PA
HDB CHEMOINFORMATICS : 6 2003