The Centroid Approximation for Mixtures: Calculating Similarity and Deriving Structure−Activity Relationships
- 13 September 2000
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Computer Sciences
- Vol. 40 (6) , 1456-1469
- https://doi.org/10.1021/ci000045j
Abstract
No abstract availableKeywords
This publication has 9 references indexed in Scilit:
- Comparing 3D Pharmacophore Triplets and 2D Fingerprints for Selecting Diverse Compound SubsetsJournal of Chemical Information and Computer Sciences, 1999
- Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural DescriptorsJournal of Chemical Information and Computer Sciences, 1997
- Synthesis and Applications of Small Molecule LibrariesChemical Reviews, 1996
- Chemical Similarity Using Physiochemical Property DescriptorsJournal of Chemical Information and Computer Sciences, 1996
- Stigmata: An Algorithm To Determine Structural Commonalities in Diverse DatasetsJournal of Chemical Information and Computer Sciences, 1996
- Using a Genetic Algorithm To Suggest Combinatorial LibrariesJournal of Chemical Information and Computer Sciences, 1995
- A Fast Algorithm For Selecting Sets Of Dissimilar Molecules From Large Chemical DatabasesQuantitative Structure-Activity Relationships, 1995
- Topological torsion: a new molecular descriptor for SAR applications. Comparison with other descriptorsJournal of Chemical Information and Computer Sciences, 1987
- Atom pairs as molecular features in structure-activity studies: definition and applicationsJournal of Chemical Information and Computer Sciences, 1985