Evaluation and Use of BCUT Descriptors in QSAR and QSPR Studies
- 17 December 1998
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Computer Sciences
- Vol. 39 (1) , 11-20
- https://doi.org/10.1021/ci980102x
Abstract
No abstract availableKeywords
This publication has 10 references indexed in Scilit:
- Quantum-Chemical Descriptors in QSAR/QSPR StudiesChemical Reviews, 1996
- Correlation of Boiling Points with Molecular Structure. 1. A Training Set of 298 Diverse Organics and a Test Set of 9 Simple InorganicsThe Journal of Physical Chemistry, 1996
- Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated AnnealingJournal of Chemical Information and Computer Sciences, 1995
- Description of several chemical structure file formats used by computer programs developed at Molecular Design LimitedJournal of Chemical Information and Computer Sciences, 1992
- Development and use of charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studiesAnalytical Chemistry, 1990
- Molecular identification number for substructure searchesJournal of Chemical Information and Computer Sciences, 1989
- Prediction of Physicochemical Properties of Organic Compounds from Molecular StructurePublished by Springer Nature ,1988
- Descriptions of molecular shape applied in studies of structure/activity and structure/property relationshipsAnalytica Chimica Acta, 1987
- Studies of Chemical Structure-Biological Activity Relations Using Pattern RecognitionPublished by American Chemical Society (ACS) ,1979
- Characterization of molecular branchingJournal of the American Chemical Society, 1975