Application of support vector machine (SVM) for prediction toxic activity of different data sets.

Abstract:

:As a new method, support vector machine (SVM) were applied for prediction of toxicity of different data sets compared with other two common methods, multiple linear regression (MLR) and RBFNN. Quantitative structure-activity relationships (QSAR) models based on calculated molecular descriptors have been clearly established. Among them, SVM model gave the highest q(2) and correlation coefficient R. It indicates that the SVM performed better generalization ability than the MLR and RBFNN methods, especially in the test set and the whole data set. This eventually leads to better generalization than neural networks, which implement the empirical risk minimization principle and may not converge to global solutions. We would expect SVM method as a powerful tool for the prediction of molecular properties.

journal_name

Toxicology

journal_title

Toxicology

authors

Zhao CY,Zhang HX,Zhang XY,Liu MC,Hu ZD,Fan BT

doi

10.1016/j.tox.2005.08.019

keywords:

subject

Has Abstract

pub_date

2006-01-16 00:00:00

pages

105-19

issue

2-3

eissn

0300-483X

issn

1879-3185

pii

S0300-483X(05)00427-0

journal_volume

217

pub_type

杂志文章
  • T-2 toxin immunotoxicity on human B and T lymphoid cell lines.

    abstract::T-2 toxin belongs to a group of mycotoxins synthesized by Fusarium fungi that are widely encountered as natural contaminants in cereals. Human lymphoid cell lines of T (MOLT-4) or B (IM-9) lineage were used to characterize the cytotoxic effects mediated by T-2 at different concentrations (0.1 pg/ml to 1 microg/ml). Af...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/j.tox.2005.01.007

    authors: Minervini F,Fornelli F,Lucivero G,Romano C,Visconti A

    更新日期:2005-05-15 00:00:00

  • Triorganotin-induced cytotoxicity to rat thymus, bone marrow and red blood cells as determined by several in vitro assays.

    abstract::To further investigate the immunotoxic effects of tri-n-propyltin chloride (TPTC), tri-n-butyltin chloride (TBTC) and triphenyltin chloride (TPhTC) several cytotoxicity tests with a series of trialkyltin chlorides and TPhTC were carried out, using isolated rat thymocytes as target cells. Thymocytes, cultured in a seru...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/0300-483x(86)90160-5

    authors: Snoeij NJ,van Iersel AA,Penninks AH,Seinen W

    更新日期:1986-04-01 00:00:00

  • In vitro and in vivo covalent binding of the kidney toxicant and carcinogen tris(2,3-dibromopropyl)-phosphate.

    abstract::The nephrotoxicant and nephrocarcinogen tris(2,3-dibromopropyl)-phosphate (Tris-BP) is activated to products which bind covalently to microsomal protein by a cytochrome P-450 dependent oxidation reaction. Binding to rat liver microsomes proceeds 15 times faster than with kidney microsomes. The binding in liver microso...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/0300-483x(81)90144-x

    authors: Söderlund EJ,Nelson SD,Dybing E

    更新日期:1981-01-01 00:00:00

  • Effect of oral administration of terephthalic acid on testicular functions of rats.

    abstract::To investigate the toxic effect of terephthalic acid (TPA) on testicular functions of rats, male Sprague-Dawley rats were orally administered TPA in diet at the levels 0 (control), 0.2, 1 and 5% for 90 days. Testicular functions were assessed by histopathology, testicular sperm head counts, daily sperm production, spe...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/j.tox.2004.03.024

    authors: Cui L,Dai G,Xu L,Wang S,Song L,Zhao R,Xiao H,Zhou J,Wang X

    更新日期:2004-09-01 00:00:00

  • Acute effects of T-2 toxin on radioactive iron incorporation into circulating erythrocytes in mice.

    abstract::The 24-h and 72-h incorporation of 59Fe into circulating erythrocytes in mice were strongly inhibited by a single subcutaneous dose of T-2 toxin given 1 h before the radioisotope. The system is extremely sensitive, since a significant effect was detected with T-2 toxin doses as low as 0.30 mg/kg, which is about one-te...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/0300-483x(91)90040-8

    authors: Faifer GC,Godoy HM

    更新日期:1991-01-01 00:00:00

  • Effect of glucuronidation substrates/inhibitors on N-(3,5-dichlorophenyl)succinimide nephrotoxicity in Fischer 344 rats.

    abstract::The agricultural fungicide N-(3,5-dichlorophenyl)succinimide (NDPS) is an acute nephrotoxicant in rats. Our previous studies have strongly suggested that glucuronide conjugation of NDPS metabolites might be a bioactivation step mediating NDPS nephrotoxicity. In this study, effects of substrates and/or inhibitors of pr...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/s0300-483x(98)00140-1

    authors: Hong SK,Anestis DK,Brown PI,Rankin GO

    更新日期:1999-01-01 00:00:00

  • Species specificity of 2-aryl carbapenem-induced immune-mediated hemolytic anemia in primates.

    abstract::L-695,256 is a novel 2-fluorenonyl carbapenem antibiotic with significant antimicrobial activity against strains of methicillin-resistant Staphylococci. This prototype compound was administered intravenously to rhesus monkeys (Macaca mulatta) at does of 50 or 200 mg/kg/day for 2 weeks to assess toxicity and found to i...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/0300-483x(96)03305-7

    authors: Lankas GR,Coleman JB,Klein HJ,Bailly Y

    更新日期:1996-04-30 00:00:00

  • Mercury exposure induces cytoskeleton disruption and loss of renal function through epigenetic modulation of MMP9 expression.

    abstract::Mercury is one of the major heavy metal pollutants occurring in elemental, inorganic and organic forms. Due to ban on most inorganic mercury containing products, human exposure to mercury generally occurs as methylmercury (MeHg) by consumption of contaminated fish and other sea food. Animal and epidemiological studies...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/j.tox.2017.05.006

    authors: Khan H,Singh RD,Tiwari R,Gangopadhyay S,Roy SK,Singh D,Srivastava V

    更新日期:2017-07-01 00:00:00

  • An epigrammatic (abridged) recounting of the myriad tales of astonishing deeds and dire consequences pertaining to nitric oxide and reactive oxygen species in mitochondria with an ancillary missive concerning the origins of apoptosis.

    abstract::Mitochondria play a central role in the life and death of cells. These organelles serve as the major energy-producing power-house, whereby the generation of ATP is associated with the utilization of molecular oxygen. A significant fraction (2-3%) of molecular oxygen consumed by mitochondria may be reduced in a one-ele...

    journal_title:Toxicology

    pub_type: 杂志文章,评审

    doi:10.1016/j.tox.2004.11.027

    authors: Heck DE,Kagan VE,Shvedova AA,Laskin JD

    更新日期:2005-03-15 00:00:00

  • Comparison of the effects of di-(2-ethylhexyl)adipate on hepatic peroxisome proliferation and cell replication in the rat and mouse.

    abstract::The effects of di-(2-ethylhexyl)adipate (DEHA) have been compared in female F344 rats and female B6C3F1 mice fed diets containing 0-4.0% DEHA and 0-2.5% DEHA, respectively, for periods of 1, 4 and 13 weeks. In both the rat and mouse treatment with DEHA at all time points produced a dose-dependent increase in relative ...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/s0300-483x(97)00125-x

    authors: Lake BG,Price RJ,Cunninghame ME,Walters DG

    更新日期:1997-12-05 00:00:00

  • Allergenicity evaluation of p-chloro-m-cresol and p-chloro-m-xylenol by non-radioactive murine local lymph-node assay and multiple-dose guinea pig maximization test.

    abstract::p-Chloro-m-cresol (PCMC) and p-chloro-m-xylenol (PCMX) are known to cause allergic contact dermatitis. For risk assessment of skin sensitizers, information on dose-response profiles in the induction and elicitation phases and cross-reactivity with analogous chemicals are important. In the non-radioactive local lymph-n...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/s0300-483x(03)00161-6

    authors: Yamano T,Shimizu M,Noda T

    更新日期:2003-08-28 00:00:00

  • p38 Mitogen-activated protein kinase up-regulates LPS-induced NF-kappaB activation in the development of lung injury and RAW 264.7 macrophages.

    abstract::Clarification of the key regulatory steps that lead to nuclear factor-kappa B (NF-kappaB) under cellular and pathological conditions is very important. The action of p38 mitogen-activated protein kinase (MAPK) on the upstream of NF-kappaB activation remains controversial. To examine this issue using an in vivo lung in...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/j.tox.2006.04.053

    authors: Kim HJ,Lee HS,Chong YH,Kang JL

    更新日期:2006-08-01 00:00:00

  • Oxidative stress and cytotoxicity of 4-(2-thienyl)butyric acid in isolated rat renal proximal tubular and distal tubular cells.

    abstract::Relative cytotoxicity and mechanism of action of thiophenes were investigated in suspensions of freshly isolated renal proximal tubular (PT) and distal tubular (DT) cells using 4-(2-thienyl)butyric acid (TByA) as a model compound. TByA produced significantly greater time- and concentration-dependent cytotoxicity, as a...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/s0300-483x(95)03137-5

    authors: Lash LH,Tokarz JJ

    更新日期:1995-12-10 00:00:00

  • Ginsenoside Rb1 alleviates aluminum chloride-induced rat osteoblasts dysfunction.

    abstract::Osteoblasts dysfunction, induced by aluminum (Al), plays a critical role in the osteoporosis etiology. Ginsenoside Rb1 (Rb1) has the therapeutic properties for osteoporosis. This study aimed to assess the efficiency of Rb1 in ameliorating Al-induced osteoblasts dysfunction. The osteoblasts were divided into four group...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/j.tox.2016.07.014

    authors: Zhu Y,Hu C,Zheng P,Miao L,Yan X,Li H,Wang Z,Gao B,Li Y

    更新日期:2016-08-10 00:00:00

  • Evaluation of the potential immunotoxicity of chlorinated drinking water in mice.

    abstract::Recent epidemiological studies have reported associations between the consumption of chlorinated drinking water and various types of human cancer; in addition, exposure to chlorine (Cl-) in drinking water has been reported to suppress certain immune functions in laboratory animals. The current studies were conducted t...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/s0300-483x(97)00163-7

    authors: French AS,Copeland CB,Andrews DL,Wiliams WC,Riddle MM,Luebke RW

    更新日期:1998-01-16 00:00:00

  • Ah receptor expression in cardiomyocytes protects adult female mice from heart dysfunction induced by TCDD exposure.

    abstract::Epidemiological studies in humans and experimental work in rodents suggest that exposure to 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), a persistent environmental toxicant, is associated with incidence of heart disease. Although TCDD toxicity depends by and large on the aryl hydrocarbon receptor (AHR), the role of the...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/j.tox.2016.05.006

    authors: Kurita H,Carreira VS,Fan Y,Jiang M,Naticchioni M,Koch S,Rubinstein J,Puga A

    更新日期:2016-04-29 00:00:00

  • Induction of serum-borne immunomodulatory factors in B6C3F1 mice by carbon tetrachloride. I. Carbon tetrachloride-induced suppression of helper T-lymphocyte function is mediated by a serum borne factor.

    abstract::Following carbon tetrachloride-induced liver injury, hepatotrophic factors are synthesized and released into the serum to facilitate the regeneration of damaged hepatic tissue. We investigated the possibility that immunosuppression could be mediated through induction of a serum factor(s) because in vivo exposure of B6...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/0300-483x(93)90083-5

    authors: Delaney B,Kaminski NE

    更新日期:1993-12-15 00:00:00

  • Immunological changes of chronic oral exposure to depleted uranium in mice.

    abstract::Direct ingestion of contaminated soil by depleted uranium (DU) might lead to internal exposure to DU by local populations through hand contamination. The purpose of this study was to assess the immunological changes of long-term exposure to various doses of DU in mice. Three-week-old Kunming mice were divided into the...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/j.tox.2013.04.013

    authors: Hao Y,Ren J,Liu J,Yang Z,Liu C,Li R,Su Y

    更新日期:2013-07-05 00:00:00

  • Studies on brain lesions after administration of monosodium L-glutamate to mice. II. Absence of brain damage following administration of monosodium L-glutamate in the diet.

    abstract::The effects of monosodium L-glutamate (MSG) on the brain of mice were examined by light-microscopy under the intended conditions of use of this material. Basal diet containing 5, 10 or 15% w/w MSG was fed to pregnant, lactating and weanling mice ad libitum, resulting in the ingestion of 14.0, 42.8 or 42.0 g/kg body wt...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/0300-483x(78)90014-8

    authors: Takasaki Y

    更新日期:1978-04-01 00:00:00

  • The positive influence of a cholinergic-anticholinergic pretreatment and antidotal treatment on rats poisoned with supralethal doses of soman.

    abstract::The influence of pretreatment with the drug mixture (pyridostigmine, benactyzine and trihexyphenidyle), and antidotal treatment (the oxime HI-6 in combination with benactyzine) on respiration, circulation and survival of experimental animals poisoned with supralethal doses of soman (2 x LD50) was investigated in a rat...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/s0300-483x(97)00186-8

    authors: Kassa J,Fusek J

    更新日期:1998-06-26 00:00:00

  • Immunological basis of toxic oil syndrome (TOS).

    abstract::The toxic oil syndrome (TOS), a multisystemic disease, that occurred in Spain in 1981, was caused by the ingestion of rapeseed oil denatured with 2% aniline. Due to the clinical course of the disease, immunopathological mechanisms have been suspected but a direct connection was never demonstrated. To analyse this poss...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/0300-483x(94)90085-x

    authors: Gallardo S,del Pozo V,Cárdaba B,de Andrés B,Martín-Orozco E,Fernandez JC,Tramón P,Posada M,Abaitua I,Palomino P

    更新日期:1994-11-11 00:00:00

  • Role for membrane remodeling in cell death: implication for health and disease.

    abstract::Recently it has become clear that exposure to xenobiotics may result in various forms of cell death; not only passive cell deaths like necrosis, or programmed cell deaths such as apoptosis, but also regulated necrosis, autophagy, senescence, or mitotic catastrophe. Complex cell signaling networks influence the process...

    journal_title:Toxicology

    pub_type: 杂志文章,评审

    doi:10.1016/j.tox.2012.12.014

    authors: Tekpli X,Holme JA,Sergent O,Lagadic-Gossmann D

    更新日期:2013-02-08 00:00:00

  • Validation of an LDH assay for assessing nanoparticle toxicity.

    abstract::Studies showed that certain cytotoxicity assays were not suitable for assessing nanoparticle (NP) toxicity. We evaluated a lactate dehydrogenase (LDH) assay for assessing copper (Cu-40, 40nm), silver (Ag-35, 35nm; Ag-40, 40nm), and titanium dioxide (TiO(2)-25, 25nm) NPs by examining their potential to inactivate LDH a...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/j.tox.2011.06.011

    authors: Han X,Gelein R,Corson N,Wade-Mercer P,Jiang J,Biswas P,Finkelstein JN,Elder A,Oberdörster G

    更新日期:2011-09-05 00:00:00

  • The protective effect of epigallocatechin-3-gallate on testicular oxidative stress in lead-induced toxicity mediated by Cyp19 gene / estradiol level.

    abstract::Exposure to heavy metals contributes to most of the unexplained male infertility. Lead (Pb) is a well- known heavy metal, which disrupt the male reproductive system. This study was conducted to investigate the therapeutic and protective effects of green tea active principle, epigallocatechin gallate (EGCG), on the lea...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/j.tox.2019.04.015

    authors: Hassan E,Kahilo K,Kamal T,Hassan M,Saleh Elgawish M

    更新日期:2019-06-15 00:00:00

  • G-protein(S), G alpha q/G alpha 11, in the olfactory neuroepithelium of the channel catfish (Ictalurus punctatus) is altered by the herbicide, dichlobenil.

    abstract::The immunohistochemical localization of G alpha q/G alpha 11 was studied in the olfactory neuroepithelium of the channel catfish. Antigenicity in the rosette was found at the apical surfaces of cells, within the apical neck regions of some cells, and within the area of the basal nerve tracts. Specific labeling was eli...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/s0300-483x(96)03558-5

    authors: Andreini I,DellaCorte C,Johnson LC,Hughes S,Kalinoski DL

    更新日期:1997-02-28 00:00:00

  • Toxicology databases in the metadatabank of online databases.

    abstract::Databases in science and technology dealing with toxicology subjects are of great and increasing interest to the scientific community. International hosts pay their tribute in creating toxicology clusters as a user-aid. Toxicology clusters of DataStar, DIALOG, DIMDI and STN are listed and compared. At the German Natio...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/0300-483x(95)03092-t

    authors: Voigt K,Brüggemann R

    更新日期:1995-06-26 00:00:00

  • A cytosolic oxygenase activity involved in the bioactivation of 2-aminofluorene.

    abstract::The contributions of the hepatic microsomal and cytosolic fractions in the metabolic activation of the promutagen 2-aminofluorene into mutagenic intermediates in the Ames test were investigated. Rat hepatic postmitochondrial, microsomal and cytosolic preparations could convert 2-aminofluorene to mutagens, the postmito...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/0300-483x(92)90050-o

    authors: Leist M,Ayrton AD,Ioannides C

    更新日期:1992-01-01 00:00:00

  • Olfactory and hepatic changes following inhalation of 3-trifluoromethyl pyridine in rats.

    abstract::Rats exposed by inhalation to 3-trifluoromethylpyridine (3-FMP) for 10, 30 or 90 days showed an unusual response in the nasal passages. Focal histological change including reduction in the number of cell layers, disorganisation, vacuolation and minimal necrosis was confined to the olfactory epithelium. Axon bundles an...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/0300-483x(88)90121-7

    authors: Gaskell BA,Hext PM,Pigott GH,Hodge MC,Tinston DJ

    更新日期:1988-06-01 00:00:00

  • Deltamethrin-induced oxidative damage and biochemical alterations in rat and its attenuation by Vitamin E.

    abstract::Deltamethrin is a synthetic pyrethroid insecticide used worldwide in agriculture, home pest control, protection of foodstuff and disease vector control. The objective of this study was to investigate the propensity of deltamethrin to induce oxidative stress and changes in biochemical parameters and enzyme activities i...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/j.tox.2006.08.008

    authors: Yousef MI,Awad TI,Mohamed EH

    更新日期:2006-10-29 00:00:00

  • Response of a human tumour cell line to chronic potassium dichromate exposure.

    abstract::Cultures of the human cell line NHIK 3025 were exposed over an 18-month period to 0.5 mumol/1 potassium dichromate (K2Cr2O7) containing 1 mumol/1 hexavalent chromium. The chronically exposed cells increased their tolerance to K2Cr2O7 in comparison to control populations. The doubling time of the chronically exposed ce...

    journal_title:Toxicology

    pub_type: 杂志文章

    doi:10.1016/0300-483x(81)90083-4

    authors: White LR,Jakobsen K,Eik-Nes KB

    更新日期:1981-01-01 00:00:00