From chemical documentation to chemoinformatics: 50 years of chemical information science

Authors:
Peter Willett
Affiliations:
University of Sheffield
Venue:
Journal of Information Science
Year:
2008

Citing 17
Cited 2

Implementation of nearest-neighbor searching in an online chemical structure search system

Journal of Chemical Information & Computer Sciences
Implementation of nonhierarchic cluster analysis methods in chemical information structure search

Journal of Chemical Information & Computer Sciences
Pharmacophoric pattern matching in files of 3-D chemical structures: election of interatomic distance screens

Journal of Molecular Graphics
Information retrieval research in the Department of Information Studies, University of Sheffield: 1965-1985

Journal of Information Science
Pharmacophoric pattern matching in files of 3d chemical structures: comparison of geometric searching algorithms

Journal of Molecular Graphics
Algorithms for the identifications of three-dimensional maximal common substructures

Journal of Chemical Information & Computer Sciences
SMILES, a chemical language and information system. 1. introduction to methodology and encoding rules

Journal of Chemical Information & Computer Sciences
Chemical Abstracts Service Chemical Registry System: history, scope, and impacts

Journal of the American Society for Information Science - Special topic issue: history of documentation and information science: part I
An Algorithm for Subgraph Isomorphism

Journal of the ACM (JACM)
Algorithm 457: finding all cliques of an undirected graph

Communications of the ACM
Virtual Screening: An Alternative or Complement to High Throughput Screening

Virtual Screening: An Alternative or Complement to High Throughput Screening
Chemical Structures

Chemical Structures
Similarity and Clustering in Chemical Information Systems

Similarity and Clustering in Chemical Information Systems
Computer-Assisted Structure Elucidation

Computer-Assisted Structure Elucidation
Combinatorial Library Design and Evaluation: Principles, Software Tools, and Applications in Drug Discovery

Combinatorial Library Design and Evaluation: Principles, Software Tools, and Applications in Drug Discovery
Applications of Artificial Intelligence for Chemical Inference: The Dendral Project

Applications of Artificial Intelligence for Chemical Inference: The Dendral Project
Introduction to Bioinformatics

Introduction to Bioinformatics

Bit-vector algorithms for binary constraint satisfaction and subgraph isomorphism

Journal of Experimental Algorithmics (JEA)
Comparison of chemical similarity measures using different numbers of query structures

Journal of Information Science

Quantified Score

Hi-index	0.00

Visualization

Abstract

This paper summarizes the historical development of the discipline that is now called `chemoinformatics'. It shows how this has evolved, principally as a result of technological developments in chemistry and biology during the past decade, from long-established techniques for the modelling and searching of chemical molecules. A total of 30 papers, the earliest dating back to 1957, are briefly summarized to highlight some of the key publications and to show the development of the discipline.