From Data to Knowledge: Chemical Data Management, Data Mining, and Modeling in Polymer Science
- 19 December 2003
- journal article
- review article
- Published by American Chemical Society (ACS) in Journal of Combinatorial Chemistry
- Vol. 6 (1) , 12-23
- https://doi.org/10.1021/cc034021b
Abstract
No abstract availableThis publication has 81 references indexed in Scilit:
- Neural networks as data mining tools in drug designJournal of Physical Organic Chemistry, 2003
- R&D Intensification in Polymer Catalyst and Product Development by Using High-Throughput Experimentation and SimulationMacromolecular Rapid Communications, 2003
- New and old trends in chemometrics. How to deal with the increasing data volumes in R&D&P (research, development and production)—with examples from pharmaceutical research and process modelingJournal of Chemometrics, 2002
- Estimation of inelastic mean free paths for polymers and other organic materials: use of quantitative structure–property relationshipsSurface and Interface Analysis, 2001
- Designing Diverse and Focused Combinatorial Libraries of Synthetic PolymersJournal of Combinatorial Chemistry, 1999
- Correlation between glass transition temperature and chain structure for randomly crosslinked high polymersJournal of Polymer Science Part B: Polymer Physics, 1996
- On the use of computational neural networks for the prediction of polymer propertiesJournal of Thermal Analysis and Calorimetry, 1996
- Neural network prediction of glass-transition temperatures from monomer structureJournal of the Chemical Society, Faraday Transactions, 1995
- Molecular modelling of polymers: 5. Inclusion of intermolecular energetics in estimating glass and crystal-melt transition temperaturesPolymer, 1989
- Molecular modeling of polymers. IV. Estimation of glass transition temperaturesJournal of Polymer Science Part B: Polymer Physics, 1988