The effect of the diversity of molecules in sets and similarity of sets on the quality of prediction in QSAR studies
From MaRDI portal
Publication:460877
DOI10.1007/S10910-013-0302-0zbMATH Open1296.92247OpenAlexW2061394687MaRDI QIDQ460877FDOQ460877
Authors: Laszlo Tarko 
Publication date: 9 October 2014
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-013-0302-0
Recommendations
- Influence of calibration and validation sets' similarity on the result of external validation test
- Similarity and Dissimilarity Methods for Processing Chemical Structure Databases
- Computation of the molecular shapes' similarity and diversity using USR method and general shape index
- QSAR modeling of human catechol \(O\)-methyltransferase enzyme kinetics
- Prediction of the datasets modelability for the building of QSAR classification models by means of the centroid based rivality index
Cites Work
Cited In (7)
- Novel criteria for elimination of the outliers in QSPR studies, when the `forward stepwise' procedure is used
- Prediction of the datasets modelability for the building of QSAR classification models by means of the centroid based rivality index
- A Difficulty Information Approach to Substituent Selection in QSAR Studies
- Influence of calibration and validation sets' similarity on the result of external validation test
- Title not available (Why is that?)
- QSAR modeling of human catechol \(O\)-methyltransferase enzyme kinetics
- Computation of the molecular shapes' similarity and diversity using USR method and general shape index
This page was built for publication: The effect of the diversity of molecules in sets and similarity of sets on the quality of prediction in QSAR studies
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q460877)
