QsarDB
REPOSITORY
ABOUT
GUIDELINES
CITING
BLOG
Search
Search
QsarDB Repository
Search
Search:
All of QsarDB
EURL ECVAM – European Union Reference Laboratory for Alternatives to Animal Testing, Joint Research Centre (Italy)
Ineris - Institut national de l’environnement industriel et des risques (France)
Liverpool John Moores University, Chemoinformatics Research Group (England)
National Institute of Chemistry, Theory Department - Laboratory for Cheminformatics (Slovenia)
Open Notebook Science (USA)
Simulations Plus, Inc. (USA)
University of Belgrade, Department of Pharmaceutical Chemistry, Faculty of Pharmacy (Serbia)
University of Gdansk, Faculty of Chemistry, Laboratory of Environmental Chemometrics (Poland)
University of Insubria, QSAR Research Unit in Environmental Chemistry and Ecotoxicology, (Italy)
University of Tartu, Institute of Chemistry, Molecular Technology (Estonia)
Vilnius University, Institute of Biotechnology (Lithuania)
Add filters
Filters
Use filters to refine the search results.
Title
Author
Subject
Date issued
Has File(s)
Filename
File description
Contains
Equals
ID
Not Contains
Not Equals
Not ID
Showing 10 out of a total of 266 results.
(0.019 seconds)
1
...
21
22
23
24
25
26
27
Sort Options:
Relevance
Title Asc
Title Desc
Issue Date Asc
Issue Date Desc
Results Per Page:
5
10
20
40
60
80
100
Communities or Collections matching your query
JRC QSAR Model Database models and data
Items matching your query
Oja, M.; Maran, U. Quantitative structure-permeability relationships at various pH values for acidic and basic drugs and drug-like compounds. SAR QSAR Environ. Res. 2015, 26, 701-719.
Published:
Mare Oja, Uko Maran
(
2015-08-17
)
Toxicokinetics
Regression
Belfield, S. J.; Cronin, M. T. D.; Enoch, S. J.; Firman, J. W. Guidance for Good Practice in the Application of Machine Learning in Development of Toxicological Quantitative Structure-Activity Relationships (QSARs). PLOS ONE, 2023, 18, e0282924.
Published:
Georgios Chrysochoou, Sulev Sild
(
2024-10-21
)
Regression
Toots, K. M.; Sild, S.; Leis, J.; Acree, W. E.; Maran, U. Exploring the influence of ionic liquid anion structure on gas-ionic liquid partition coefficients of organic solutes using machine learning. Langmuir, 2024, 40, 23714–23728
Published:
Karl Marti Toots, Sulev Sild, Jaan Leis, William E. Acree, Uko Maran
(
2024-09-02
)
Regression
Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2024, 347, 140671.
Published:
Geven Piir, Sulev Sild, Uko Maran
(
2023-09-14
)
HumanHealth
Classification
PredictFromStructure
Akinola, L. K.; Uzairu, A.; Shallangwa, G. A.; Abechi, S. E. Development of binary classification models for grouping hydroxylated polychlorinated biphenyls into active and inactive thyroid hormone receptor agonists. SAR and QSAR in Environmental Research 2023, 34, 267–284.
Published:
Geven Piir
(
2025-05-07
)
HumanHealth
Regression
Zukić, S.; Osmanović, A.; Harej, A.; Kraljević Pavelić, S.; Špirtović-Halilović, S.; Veljović, E.; Roca, S.; Trifunović, S.; Završnik, D.; Maran, U. Data driven modelling of substituted pyrimidine and uracil-based derivatives validated with newly synthesized and antiproliferative evaluated compounds. Int. J. Mol. Sci. 2024, 25, 9390
Published:
Selma Zukic, Uko Maran
(
2024-08-21
)
Regression
Käärik, M.; Krjukova, N.; Maran, U.; Oja, M.; Piir, G.; Leis, J. Nanomaterial texture-based machine learning of ciprofloxacin adsorption on nanoporous carbon. Int. J. Mol. Sci. 2024, 25, 11696.
Published:
Maike Käärik, Nadežda Krjukova, Uko Maran, Mara Oja, Geven Piir, Jaan Leis
(
2024-10-25
)
Regression
Hewitt, M.; Madden, J.C.; Rowe, P.H.; Cronin, M.T.D. Structure-based modelling in reproductive toxicology: (Q)SARs for the placental barrier. SAR QSAR Environ. Res. 2007, 18, 57-76.
Published:
Sam Belfield
(
2024-03-07
)
Toxicokinetics
Regression
Beljkas, M.; Zukic, S.; Mirjacic Martinovic, K.; Djuric, A.; Vuletic, A.; Corinne, J.; Hölzel, J.; Böttger, E.; Gajić, M.; Santibanez F, J.; Stark, H.; Živković, A.; Srdic-Rajic, T.; Arimondo, P.; Maran, U.; Nikolic, K.; Petkovic, M.; Oljacic, S. Molecular Docking, Machine Learning-Guided Design, Synthesis, and Biological Evaluation of Novel Multitarget HDAC/ROCK Inhibitors. ChemRxiv 2025.
Published:
Selma Zukic, Milan Beljkas
(
2025-05-13
)
Regression
1
...
21
22
23
24
25
26
27
Sort Options:
Relevance
Title Asc
Title Desc
Issue Date Asc
Issue Date Desc
Results Per Page:
5
10
20
40
60
80
100
Search
Chemical search
Advanced Search
Browse
All of QsarDB
Communities & Collections
By Submit Date
Authors
Titles
Journals
Endpoints
Species
Descriptor calculation software
Modeling software
Model type
QMRF
Predict from structure
My Account
Login
Register