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Abbreviation : QSTR
Long Form : quantitative structure-toxicity relationship
No. Year Title Co-occurring Abbreviation
2020 A unified in silico model based on perturbation theory for assessing the genotoxicity of metal oxide nanoparticles. NMs, PTML
2020 Prediction of chemical toxicity to Tetrahymena pyriformis with four-descriptor models. GRNN, RMS
2019 Application of a Validated QSTR Model for Repurposing COX-2 Inhibitor Coumarin Derivatives as Potential Antitumor Agents. ---
2019 Ecotoxicological Modeling, Ranking and Prioritization of Pharmaceuticals Using QSTR and i-QSTTR Approaches: Application of 2D and Fragment Based Descriptors. GA-MLR, PLS, QSTTR
2019 Ecotoxicological QSAR modeling of endocrine disruptor chemicals. EDCs, i-QSTTR, PLS
2019 Machine Learning Models for the Prediction of Chemotherapy-Induced Peripheral Neuropathy. CIPN
2019 Molecular docking and pharmacokinetic evaluation of natural compounds as targeted inhibitors against Crz1 protein in Rhizoctonia solani. QSAR
2019 Multiple toxicity endpoint-structure relationships for substituted phenols and anilines. C. vulgaris
2019 Predicting Cytotoxicity and Enzymatic Activity of Diverse Chemicals Using Goldfish Scale Tissue and Topminnow Hepatoma Cell Line-based Data. EROD
10  2019 Quantitative Structure-Toxicity Relationship analysis of combined toxic effects of lignocellulose-derived inhibitors on bioethanol production. ---
11  2019 Risk assessment of heterogeneous TiO2-based engineered nanoparticles (NPs): a QSTR approach using simple periodic table based descriptors. eq, LR, NPs, PLS, Rc, TC
12  2018 A Comprehensive In Silico Method to Study the QSTR of the Aconitine Alkaloids for Designing Novel Drugs. PPI
13  2018 Chemometric modeling of aquatic toxicity of contaminants of emerging concern (CECs) in Dugesia japonica and its interspecies correlation with daphnia and fish: QSTR and QSTTR approaches. CEC, CECs, ICP, OECD, PLS, QSTTR
14  2018 Discrimination of typical cyclic compounds and selection of toxicity evaluation bioassays for coal gasification wastewater (CGW) based on toxicity mechanism of actions (MOAs). C. vulgaris, CGW, D. magna, MOAs, NHCs, PAHs
15  2018 On the prediction of cytotoxicity of diverse chemicals for topminnow (Poeciliopsis lucida) hepatoma cell line, PLHC-1$. ---
16  2018 Single or mixture halogenated chemicals? Risk assessment and developmental toxicity prediction on zebrafish embryos based on weighted descriptors approach. PFASs
17  2018 Toxicity evaluation of lignocellulose-derived phenolic inhibitors on Saccharomyces cerevisiae growth by using the QSTR method. ---
18  2018 Understanding the toxic potencies of xenobiotics inducing TCDD/TCDF-like effects. AhR, OECD
19  2017 A QSTR-Based Expert System to Predict Sweetness of Molecules. ECFPs, OECD
20  2017 An in silico algal toxicity model with a wide applicability potential for industrial chemicals and pharmaceuticals. ---
21  2017 An in silico approach to cytotoxicity of pharmaceuticals and personal care products on the rainbow trout liver cell line RTL-W1. CFDA-AM, OECD, RMSETR
22  2017 Ecotoxicological modelling of cosmetics for aquatic organisms: A QSTR approach. PLS
23  2017 In silico prediction of toxicity of phenols to Tetrahymena pyriformis by using genetic algorithm and decision tree-based modeling approach. CART, MLR
24  2017 On the aquatic toxicity of substituted phenols to Chlorella vulgaris: QSTR with an extended novel data set and interspecies models. ---
25  2017 Prediction of acute toxicity of emerging contaminants on the water flea Daphnia magna by Ant Colony Optimization-Support Vector Machine QSTR models. ACO, SVM
26  2016 Modeling the toxicity of chemical pesticides in multiple test species using local and global QSTR approaches. ---
27  2016 Prediction of acute toxicity of phenol derivatives using multiple linear regression approach for Tetrahymena pyriformis contaminant identification in a median-size database. ---
28  2015 Chemical and toxicological characterization of halobenzoquinones, an emerging class of disinfection byproducts. AP, DBPs, HBQs, ROS
29  2015 Computational Study of Quinolone Derivatives to Improve their Therapeutic Index as Anti-malaria Agents: QSAR and QSTR. MLR, QSAR
30  2015 Cytotoxicity towards CCO cells of imidazolium ionic liquids with functionalized side chains: preliminary QSTR modeling using regression and classification based approaches. CCO
31  2015 Predicting aquatic toxicities of chemical pesticides in multiple test species using nonlinear QSTR modeling approaches. DTB, DTF, SDT, SVM
32  2015 Toxicity prediction of PHDDs and phenols in the light of nucleic acid bases and DNA base pair interaction. DFT, NA, PHDDs, PHs, QCPs
33  2014 Comparative performance of descriptors in a multiple linear and Kriging models: a case study on the acute toxicity of organic chemicals to algae. MLR
34  2014 In silico prediction of toxicity of non-congeneric industrial chemicals using ensemble learning based modeling approaches. DTB, DTF, MSEs
35  2014 Mutatomics analysis of the systematic thermostability profile of Bacillus subtilis lipase A. LIPA, MD, PLS, SVM
36  2014 Periodic table-based descriptors to encode cytotoxicity profile of metal oxide nanoparticles: a mechanistic QSTR approach. NPs
37  2014 Predictive modeling of chemical toxicity towards Pseudokirchneriella subcapitata using regression and classification based approaches. LDA
38  2014 QSTR modeling for qualitative and quantitative toxicity predictions of diverse chemical pesticides in honey bee for regulatory purposes. GRNN, MSE, PNN
39  2014 Quantitative structure-toxicity relationship (QSTR) studies on the organophosphate insecticides. ---
40  2013 Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity. 3D-MEDNEs, mt-QSTR
41  2013 First report on predictive chemometric modeling, 3D-toxicophore mapping and in silico screening of in vitro basal cytotoxicity of diverse organic chemicals. HBD, HYD Aliphatic, RA
42  2013 The determination of toxicities of sulphonylurea and phenylurea herbicides with quantitative structure-toxicity relationship (QSTR) studies. ---
43  2012 Accurate prediction of the toxicity of benzoic acid compounds in mice via oral without using any computer codes. ---
44  2012 Exploring QSTR analysis of the toxicity of phenols and thiophenols using machine learning methods. CART, LSSVR
45  2012 Predicting multiple ecotoxicological profiles in agrochemical fungicides: a multi-species chemoinformatic approach. ms
46  2012 Prediction of nitrobenzene toxicity to the algae (Scenedesmus obliguus) by quantitative structure-toxicity relationship (QSTR) models with quantum chemical descriptors. ---
47  2012 QSTR with extended topochemical atom (ETA) indices. 15. Development of predictive models for toxicity of organic chemicals against fathead minnow using second-generation ETA indices. ETA
48  2012 Risk assessment for ecotoxicity of pharmaceuticals--an emerging issue. ---
49  2011 Assessing the toxic effects of ethylene glycol ethers using Quantitative Structure Toxicity Relationship models. CICAD, EGEs, rQSTR, WHO
50  2011 Potential carcinogenic hazards of non-regulated disinfection by-products: haloquinones, halo-cyclopentene and cyclohexene derivatives, N-halamines, halonitriles, and heterocyclic amines. DBPs, HAMs, HNs, HQs, LOAELs, NAs, NCls, NOM
51  2010 QSTR with extended topochemical atom (ETA) indices. 14. QSAR modeling of toxicity of aromatic aldehydes to Tetrahymena pyriformis. ETA
52  2010 Quantitative structure-activity relationship for 4-hydroxy-2-alkenal induced cytotoxicity in L6 muscle cells. HHE, HNE, LUMO
53  2010 Study on QSTR of benzoic acid compounds with MCI. MCI
54  2008 3D-MEDNEs: an alternative "in silico" technique for chemical research in toxicology. 2. quantitative proteome-toxicity relationships (QPTR) based on mass spectrum spiral entropy. 3D-MEDNEs, I i, LOO, MS, QPTR
55  2008 Hologram and 3D-quantitative structure toxicity relationship studies of azo dyes. CoMFA, CoMSIA, D-A, HQSTR
56  2008 Using quantitative structure-activity relationships (QSAR) to predict toxic endpoints for polycyclic aromatic hydrocarbons (PAH). EROD, GJIC, PAH, QSAR
57  2007 QSTR with extended topochemical atom (ETA) indices. 9. Comparative QSAR for the toxicity of diverse functional organic compounds to Chlorella vulgaris using chemometric tools. ETA, PCRA, PLS
58  2006 Prediction of genotoxicity of various environmental pollutants by artificial neural network simulation. ---
59  2004 Prediction of mammalian toxicity of organophosphorus pesticides from QSTR modeling. ANN, HBA, HBD, RMSR
60  2004 QSTR with extended topochemical atom indices. 2. Fish toxicity of substituted benzenes. ETA
61  2004 Quantitative structure toxicity relationships for catechols in isolated rat hepatocytes. ---
62  2003 Quantitative structure toxicity relationships for phenols in isolated rat hepatocytes. BDE
63  2002 Comparative quantitative structure toxicity relationships for flavonoids evaluated in isolated rat hepatocytes and HeLa tumor cells. QSAR
64  2002 Use of the PI index in predicting toxicity of nitrobenzene derivatives. RMS
65  2001 Linear regression and computational neural network prediction of tetrahymena acute toxicity for aromatic compounds from molecular structure. CNNs
66  2001 Quantitative structure-toxicity relationships using TOPS-MODE. 2. Neurotoxicity of a non-congeneric series of solvents. ---
67  2000 Potential health effects of drinking water disinfection by-products using quantitative structure toxicity relationship. DBPs, LOAEL
68  1999 Using molecular quantum similarity measures as descriptors in quantitative structure-toxicity relationships. MQSM
69  1997 A quantitative structure-toxicity relationships model for the dermal sensitization guinea pig maximization assay. GPMT, OPS
70  1995 Assessment of developmental toxicity potential of chemicals by quantitative structure-toxicity relationship models. DTP, OPS