The application of molecular similarity calculations
- 1 November 1990
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 11 (10) , 1139-1146
- https://doi.org/10.1002/jcc.540111004
Abstract
No abstract availableKeywords
This publication has 16 references indexed in Scilit:
- Semiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison with ab initio valuesJournal of Computational Chemistry, 1990
- Molsimil - 88: Molecular similarity calculations using a CNDO-like approximationComputer Physics Communications, 1989
- LCAO–MO similarity measures and taxonomyInternational Journal of Quantum Chemistry, 1987
- Molecular similarity based on electrostatic potential and electric fieldInternational Journal of Quantum Chemistry, 1987
- Quantitative measures of similarity between pharmacologically active compoundsInternational Journal of Quantum Chemistry, 1986
- Electrostatic potential comparison and molecular metric spacesJournal of Biological Physics, 1986
- Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelJournal of the American Chemical Society, 1985
- Ab initio computation of molecular similarityThe Journal of Physical Chemistry, 1985
- NitroenaminesTetrahedron, 1981
- Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional termsJournal of the American Chemical Society, 1977