Further Comparative Studies of Fragment Weighting Schemes for Substructural Analysis
Ann Ormerod, Peter Willet, David Bawden · Quantitative Structure-Activity Relationships · 1990
Abstract This paper considers the use of fragment weighting schemes for substructural analysis studies. Experiments are reported using 2‐D and 3‐D substructural descriptors with both small and large datasets for which qualitative activity data are available. The results support previous work in suggesting the potential of probabilistic models of weighting first used in studies of text retrieval.