Chemically Advanced Template Search (CATS) for Scaffold‐Hopping and Prospective Target Prediction for ‘Orphan’ Molecules
Open Access
- 7 February 2013
- journal article
- research article
- Published by Wiley in Molecular Informatics
- Vol. 32 (2), 133-138
- https://doi.org/10.1002/minf.201200141
Abstract
No abstract availableKeywords
This publication has 56 references indexed in Scilit:
- Large-scale prediction and testing of drug activity on side-effect targetsNature, 2012
- ChEMBL: a large-scale bioactivity database for drug discoveryNucleic Acids Research, 2011
- Target Profile Prediction and Practical Evaluation of a Biginelli-Type Dihydropyrimidine Compound LibraryPharmaceuticals, 2011
- Multiple search methods for similarity-based virtual screening: analysis of search overlap and precisionJournal of Cheminformatics, 2011
- Stoichiometry and Physical Chemistry of Promiscuous Aggregate-Based InhibitorsJournal of the American Chemical Society, 2008
- Processing and classification of chemical data inspired by insect olfactionProceedings of the National Academy of Sciences of the United States of America, 2007
- Predicting olfactory receptor neuron responses from odorant structureChemistry Central Journal, 2007
- Scaffold‐Hopping: How Far Can You Jump?QSAR & Combinatorial Science, 2006
- Atom pairs as molecular features in structure-activity studies: definition and applicationsJournal of Chemical Information and Computer Sciences, 1985
- Hierarchical Grouping to Optimize an Objective FunctionJournal of the American Statistical Association, 1963