- Home
- Publications
- Publication Search
- Publication Details
Title
Methodology of aiQSAR: a group-specific approach to QSAR modelling
Authors
Keywords
QSAR, Local models, Machine learning, Applicability domain measure, BCF, Ames test, Acute oral toxicity
Journal
Journal of Cheminformatics
Volume 11, Issue 1, Pages -
Publisher
Springer Nature
Online
2019-04-03
DOI
10.1186/s13321-019-0350-y
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Multivariate comparison of classification performance measures
- (2018) Davide Ballabio et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- QSAR modeling of ToxCast assays Relevant to the Molecular Initiating Events of AOPs Leading to Hepatic Steatosis
- (2018) Domenico Gadaleta et al. Journal of Chemical Information and Modeling
- Is it possible to improve the quality of predictions from an “intelligent” use of multiple QSAR/QSPR/QSTR models?
- (2018) Kunal Roy et al. JOURNAL OF CHEMOMETRICS
- DPubChem: a web tool for QSAR modeling and high-throughput virtual screening
- (2018) Othman Soufan et al. Scientific Reports
- A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications
- (2018) Domenico Gadaleta et al. Journal of Cheminformatics
- ChemSAR: an online pipelining platform for molecular SAR modeling
- (2017) Jie Dong et al. Journal of Cheminformatics
- Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
- (2015) Dávid Bajusz et al. Journal of Cheminformatics
- Building Predictive Models inRUsing thecaretPackage
- (2015) Max Kuhn Journal of Statistical Software
- Regularization Paths for Generalized Linear Models via Coordinate Descent
- (2015) Jerome Friedman et al. Journal of Statistical Software
- QSAR Modeling: Where Have You Been? Where Are You Going To?
- (2013) Artem Cherkasov et al. JOURNAL OF MEDICINAL CHEMISTRY
- lazar: a modular predictive toxicology framework
- (2013) Andreas Maunz et al. Frontiers in Pharmacology
- Tools for mapping high-throughput sequencing data
- (2012) Nuno A. Fonseca et al. BIOINFORMATICS
- Model-based boosting in R: a hands-on tutorial using the R package mboost
- (2012) Benjamin Hofner et al. COMPUTATIONAL STATISTICS
- Open Babel: An open chemical toolbox
- (2011) Noel M O'Boyle et al. Journal of Cheminformatics
- The CAESAR project for in silico models for the REACH legislation
- (2010) Emilio Benfenati Chemistry Central Journal
- A new hybrid system of QSAR models for predicting bioconcentration factors (BCF)
- (2008) Chunyan Zhao et al. CHEMOSPHERE
- Open-source machine learning: R meets Weka
- (2008) Kurt Hornik et al. COMPUTATIONAL STATISTICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started