Found: 28
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Combined Ligand/Structure-Based Virtual Screening and Molecular Dynamics Simulations of Steroidal Androgen Receptor Antagonists.
- Published in:
- BioMed Research International, 2017, v. 2017, p. 1, doi. 10.1155/2017/3572394
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- Publication type:
- Article
Modeling ready biodegradability of fragrance materials.
- Published in:
- Environmental Toxicology & Chemistry, 2015, v. 34, n. 6, p. 1224, doi. 10.1002/etc.2926
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- Publication type:
- Article
Ligand Efficiency Outperforms pIC<sub>50</sub> on Both 2D MLR and 3D CoMFA Models: A Case Study on AR Antagonists.
- Published in:
- 2015
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- Publication type:
- Case Study
JOINT ALGAL TOXICITY OF PHENYLUREA HERBICIDES IS EQUALLY PREDICTABLE BY CONCENTRATION ADDITION AND INDEPENDENT ACTION.
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- Environmental Toxicology & Chemistry, 2004, v. 23, n. 2, p. 258, doi. 10.1897/02-497
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- Publication type:
- Article
External Evaluation of QSAR Models, in Addition to Cross-Validation: Verification of Predictive Capability on Totally New Chemicals.
- Published in:
- Molecular Informatics, 2014, v. 33, n. 4, p. 311, doi. 10.1002/minf.201400030
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- Publication type:
- Article
Corrigendum: Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl-Pyranones.
- Published in:
- Molecular Informatics, 2013, v. 32, n. 3, p. 313, doi. 10.1002/minf.201390006
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- Publication type:
- Article
Structure-Activity Relationship Analysis of the Thermal Stabilities of Nitroaromatic Compounds Following Different Decomposition Mechanisms.
- Published in:
- Molecular Informatics, 2013, v. 32, n. 2, p. 193, doi. 10.1002/minf.201200089
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- Publication type:
- Article
QSAR Modeling is not 'Push a Button and Find a Correlation': A Case Study of Toxicity of (Benzo-)triazoles on Algae.
- Published in:
- Molecular Informatics, 2012, v. 31, n. 11/12, p. 817, doi. 10.1002/minf.201200075
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- Publication type:
- Article
CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals.
- Published in:
- Molecular Informatics, 2011, v. 30, n. 2/3, p. 189, doi. 10.1002/minf.201000133
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- Publication type:
- Article
On the Use of Local and Global QSPRs for the Prediction of Physico-chemical Properties of Polybrominated Diphenyl Ethers.
- Published in:
- Molecular Informatics, 2011, v. 30, n. 2/3, p. 232, doi. 10.1002/minf.201000148
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- Publication type:
- Article
Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl-Pyranones.
- Published in:
- Molecular Informatics, 2010, v. 29, n. 6/7, p. 511, doi. 10.1002/minf.201000011
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- Publication type:
- Article
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.
- Published in:
- Environmental Health Perspectives, 2020, v. 128, n. 2, p. 027002-1, doi. 10.1289/EHP5580
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- Publication type:
- Article
Methods for Reliability and Uncertainty Assessment and for Applicability Evaluations of Classification- and Regression-Based QSARs.
- Published in:
- Environmental Health Perspectives, 2003, v. 111, n. 10, p. 1361, doi. 10.1289/ehp.5758
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- Publication type:
- Article
Analysis of Mosses and Soils for Quantifying Heavy Metal Concentrations in Sicily: A Multivariate and Spatial Analytical Approach.
- Published in:
- Environmental Science & Pollution Research, 2006, v. 13, n. 1, p. 28, doi. 10.1065/espr2006.01.006
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- Publication type:
- Article
In Memory of Professor Davide Calamari.
- Published in:
- 2006
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- Publication type:
- Editorial
QSARINS‐Chem standalone version: A new platform‐independent software to profile chemicals for physico‐chemical properties, fate, and toxicity.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 20, p. 1452, doi. 10.1002/jcc.26551
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- Publication type:
- Article
Oral LD toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse.
- Published in:
- Molecular Diversity, 2011, v. 15, n. 2, p. 467, doi. 10.1007/s11030-010-9268-z
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- Publication type:
- Article
The importance of molecular structures, endpoints' values, and predictivity parameters in QSAR research: QSAR analysis of a series of estrogen receptor binders.
- Published in:
- Molecular Diversity, 2010, v. 14, n. 4, p. 687, doi. 10.1007/s11030-009-9212-2
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- Publication type:
- Article
The QSPR-THESAURUS: The Online Platform of the CADASTER Project.
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- Alternatives to Laboratory Animals, 2014, v. 42, n. 1, p. 13, doi. 10.1177/026119291404200104
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- Publication type:
- Article
Evaluation of CADASTER QSAR Models for the Aquatic Toxicity of (Benzo)triazoles and Prioritisation by Consensus Prediction.
- Published in:
- Alternatives to Laboratory Animals, 2013, v. 41, n. 1, p. 49, doi. 10.1177/026119291304100107
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- Publication type:
- Article
A new strategy to improve the predictive ability of the local lazy regression and its application to the QSAR study of melanin-concentrating hormone receptor 1 antagonists.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 5, p. 973, doi. 10.1002/jcc.21383
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- Publication type:
- Article
QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 16, p. 2636, doi. 10.1002/jcc.21002
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- Publication type:
- Article
Synthesis of (2S, 5R) - [5-<sup>2</sup>H] Proline.
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- Journal of Labelled Compounds & Radiopharmaceuticals, 1981, v. 18, n. 7, p. 955, doi. 10.1002/jlcr.2580180705
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- Publication type:
- Article
Antiproliferative Pt(IV) complexes: synthesis, biological activity, and quantitative structure–activity relationship modeling.
- Published in:
- Journal of Biological Inorganic Chemistry (JBIC), 2010, v. 15, n. 7, p. 1157, doi. 10.1007/s00775-010-0676-4
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- Publication type:
- Article
QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 13, p. 1036, doi. 10.1002/jcc.23576
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- Publication type:
- Article
Reply to the comment of S. Rayne on 'QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (Benzo-)triazoles'.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 20, p. 1796, doi. 10.1002/jcc.23321
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- Publication type:
- Article
QSARINS: A new software for the development, analysis, and validation of QSAR MLR models.
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- Journal of Computational Chemistry, 2013, v. 34, n. 24, p. 2121, doi. 10.1002/jcc.23361
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- Publication type:
- Article
QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo-)triazoles.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 11, p. 2386, doi. 10.1002/jcc.21820
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- Publication type:
- Article