Feature trees: A new molecular similarity measure based on tree matching
- 1 January 1998
- journal article
- Published by Springer Nature in Journal of Computer-Aided Molecular Design
- Vol. 12 (5) , 471-490
- https://doi.org/10.1023/a:1008068904628
Abstract
In this paper we present a new method for evaluating molecular similarity between small organic compounds. Instead of a linear representation like fingerprints, a more complex description, a feature...Keywords
This publication has 10 references indexed in Scilit:
- Time-efficient flexible superposition of medium-sized moleculesJournal of Computer-Aided Molecular Design, 1997
- A Fast Flexible Docking Method using an Incremental Construction AlgorithmJournal of Molecular Biology, 1996
- Molecular Similarity Based on DOCK-Generated FingerprintsJournal of Medicinal Chemistry, 1996
- A genetic algorithm for flexible molecular overlay and pharmacophore elucidationJournal of Computer-Aided Molecular Design, 1995
- Searching for pharmacophoric patterns in databases of three‐dimensional chemical structuresJournal of Molecular Recognition, 1995
- New molecular shape descriptors: Application in database screeningJournal of Computer-Aided Molecular Design, 1995
- Different approaches toward an automatic structural alignment of drug molecules: Applications to sterol mimics, thrombin and thermolysin inhibitorsJournal of Computer-Aided Molecular Design, 1994
- New method for rapid characterization of molecular shapes: applications in drug designJournal of Chemical Information and Computer Sciences, 1993
- A fast and efficient method for 2D and 3D molecular shape descriptionJournal of Computer-Aided Molecular Design, 1992
- The protein data bank: A computer-based archival file for macromolecular structuresJournal of Molecular Biology, 1977