Judson P. Knowledge-based Expert Systems in Chemistry: Not Counting on Computers (RSC Theoretical and Computational Chemistry Series No. 1)

Royal Society of Chemistry, 2009. – 222 p. – ISBN: 9780854041602Computers began to think, in their simple way, in the 1960s; they ceased to be mere adding machines. People interested in using computers to help with chemical synthesis design were among the earliest researchers in the field of artificial intelligence, and the results of their work have had a major impact on chemical software development ever since.
The Computational Nanoscience book addresses modern challenges in the computational science, within the context of the rapidly evolving field of nanotechnology. It satisfies the need for a comprehensive, yet concise and up-to-date, survey of new developments and applications presented by the world’s leading academics. It documents major recent advances in scientific computation, mathematical models and theory development that specifically target the applications in nanotechnology. The remarkable improvements in both theoretical methods and computational techniques make it possible for modern computational science to achieve a new level of accuracy. Computational nanoscience is now a discipline capable of leading and guiding experimental efforts.
RSC Theoretical and Computational Chemistry Series. Titles in the Series:
Knowledge-based Expert Systems in Chemistry: Not Counting on Computers
Non-Covalent Interactions: Theory and Experiment
Single-Ion Solvation: Experimental and Theoretical Approaches to Elusive Thermodynamic Quantities
Computational Nanoscience
Computational Quantum Chemistry: Molecular Structure and Properties in Silico
Reaction Rate Constant Computations: Theories and Applications
Theory of Molecular CollisionsArtificial Intelligence – Making Use of Reasoning
Synthesis Planning by Computer
Other Programs to Support Chemical Synthesis Planning
International Repercussions of the Harvard LHASA
Structure Representation
Structure, Sub-Structure and Super-Structure Searching
Protons that Come and Go
Aromaticity and Stereochemistry
Derek – Predicting Toxicity
Other Alert-Based Toxicity Prediction Systems
Rule Discovery
The 2D–3D Debate
Making Use of Reasoning: Derek for Windows
Predicting Metabolism
Relative Reasoning
Predicting Biodegradation
Other Applications and Potential Applications of Knowledge-Based Prediction in Chemistry
Evaluation and Validation of Knowledge-Based Systems
Combining Predictions
A Subjective View of the Future