Dynamic QSAR: A New Search for Active Conformations and Significant Stereoelectronic Indices
- 1 January 1994
- journal article
- research article
- Published by Wiley in Quantitative Structure-Activity Relationships
- Vol. 13 (3) , 302-307
- https://doi.org/10.1002/qsar.19940130308
Abstract
No abstract availableKeywords
This publication has 8 references indexed in Scilit:
- A new development of the oasis computer system for modeling molecular propertiesComputers & Chemistry, 1994
- 3DGEN: A system for exhaustive 3D molecular design proceeding from molecular topologyJournal of Chemical Information and Computer Sciences, 1994
- A numerical self-consistent reaction field (SCRF) model for ground and excited states in NDDO-based methodsJournal of the American Chemical Society, 1993
- PM3‐SM3: A general parameterization for including aqueous solvation effects in the PM3 molecular orbital modelJournal of Computational Chemistry, 1992
- General parameterized SCF model for free energies of solvation in aqueous solutionJournal of the American Chemical Society, 1991
- The OASIS concept for predicting the biological activity of chemical compoundsJournal of Mathematical Chemistry, 1990
- The microcomputer OASIS system for predicting the biological activity of chemical compoundsComputers & Chemistry, 1990
- The calculation of molar polarizabilities by the CNDO/2 method: Correlation with the hydrophobic parameter, log PJournal of Computational Chemistry, 1989