• Title/Summary/Keyword: predictive tool

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A Review of 3D-QSAR in Drug Design

  • Madhavan, Thirumurthy
    • Journal of Integrative Natural Science
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    • v.5 no.1
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    • pp.1-5
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    • 2012
  • Quantitative structure-activity relationship (QSAR) methodologies have been applied for many years, to correlate the relationship between physicochemical properties of chemical substances and their biological activities to generate a statistical model for prediction of the activities of new chemical entities. The basic principle behind the QSAR models is that, how structural variation is responsible for the difference in biological activities of the compounds. 3D-QSAR has emerged as a natural extension to the classical Hansch and Free-Wilson approaches, which develops the 3D properties of the ligands to predict their biological activities using various chemometric techniques (PLS, G/PLS, ANN etc). It has served as a valuable predictive tool in the design of pharmaceuticals and agrochemicals. This review seeks to provide different 3D-QSAR approaches involved in drug designing process to develop structure-activity relationships and also discussed the fundamental limitations, as well as those that might be overcome with the improved methodologies.

New reliability framework for assessment of existing concrete bridge structures

  • Mahdi Ben Ftima;Bruno Massicotte;David Conciatori
    • Structural Engineering and Mechanics
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    • v.89 no.4
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    • pp.399-409
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    • 2024
  • Assessment of existing concrete bridges is a challenge for owners. It has greater economic impact when compared to designing new bridges. When using conventional linear analyses, judgment of the engineer is required to understand the behavior of redundant structures after the first element in the structural system reaches its ultimate capacity. The alternative is to use a predictive tool such as advanced nonlinear finite element analyses (ANFEA) to assess the overall structural behavior. This paper proposes a new reliability framework for the assessment of existing bridge structures using ANFEA. A general framework defined in previous works, accounting for material uncertainties and concrete model performance, is adapted to the context of the assessment of existing bridges. A "shifted" reliability problem is defined under the assumption of quasi-deterministic dead load effects. The overall exercise is viewed as a progressive pushover analysis up to structural failure, where the actual safety index is compared at each event to a target reliability index.

A Study on the Validity and Utility of Korean-Age and Stage Questionnaire for Children in Community (지역사회 아동의 Korean-Age and Stage Questionnaire 타당도와 효용성 연구)

  • Lee, Seong-A;Hwang, Sang-Hui
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.11 no.9
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    • pp.3390-3397
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    • 2010
  • The purpose of this study was to evaluate the validity and utility of the Korean-Ages and Stages Questionnaires(K-ASQ) as a screening tool for detecting developmental delay of preschool child in community. Informed consents from parents of 229 children were received for the process of the study. The subjects were 229 parents and the children of three to five years old who did not have reported genetic diseases or developmental delays. The result of this study, validity were calculated for the K-ASQ sensitivity 0.41%, specificity 0.76%, hyper-referral 0.14%, hypo-referral 0.21%. Predictive value of delayed development were K-ASQ 0.70% and that of normal development were K-ASQ 0.77%. K-ASQ can be feasibly used in the setting of health clinic and be the highly predictive criteria for delayed development and normal development.

Reliability of Nutritional Screening Using DETERMINE Checklist for Elderly in Korean Rural Areas by Season (우리나라 농촌지역 노인들의 영양점검표(DETERMINE)를 통한 계절별 영양상태 판정의 신뢰도 분석 연구)

  • Moon, Hyun-Kyung;Kong, Jung-Eun
    • Korean Journal of Community Nutrition
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    • v.14 no.3
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    • pp.340-353
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    • 2009
  • It is very important to screen the elderly for nutritional risk, because nutritional status is a critical factor to maintain their health. Some nutrition checklists used in Korea for the elderly are from other countries. Reliability of those checklist in Korea is not studied enough. This survey was done for the elderly over 65-years-old who live in Hong-cheon, An-dong, Dam-yang and Yeon-gi in Korea (subject; summer: 146, winter: 145) to study the reliability of DETERMINE checklist which is adopted widely in Korea. Using the score of DETERMINE checklist, the elderly were divided as high, middle and low risk groups. For nutritional assessment for those elderly, dietary assessment using 24 recall, anthropometry, biochemical assessment and health condition were used. Results for the checklist showed that percentage below EAR for energy intake and protein intake in winter were higher in the high risk group than other groups. The intakes of phosphorus and iron and most vitamins were below the DRI. The percentage of subjects with intake below DRI was highest in the high risk group. Sensitivity, specificity, and positive predictive values using the DETERMINE were calculated using 6 point as a cut-off point. Subjects were divided into two groups by MAR (MAR < 0.75:undernutrition, MAR < 0.75 : normal). Sensitivity recorded 49.4% and 34.3%, specificity did 61.9% and 65.4 and Positive predictive value did 62.1% and 46.0% each for summer and winter. Results of screening using DETERMINE Checklist were not matched with dietary assessment but not with anthropometric and biochemical measurement. In conclusion DETERMINE 'Checklist' is shown be a good screening tool for finding out risk groups for dietary intake in the elderly, It needs to verify reliability and validity through large-scale survey.

Accuracy of Visual Inspection with Acetic acid in Detecting High-Grade Cervical Intraepithelial Neoplasia in Pre- and Post-Menopausal Thai Women with Minor Cervical Cytological Abnormalities

  • Poomtavorn, Yenrudee;Suwannarurk, Komsun
    • Asian Pacific Journal of Cancer Prevention
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    • v.16 no.6
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    • pp.2327-2331
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    • 2015
  • Purpose: To determine the accuracy of visual inspection with acetic acid (VIA) in detecting high-grade cervical intraepithelial neoplasia (CIN) in pre- and post-menopausal women with atypical squamous cells of undetermined significance (ASC-US) and low grade squamous intraepithelial lesion (LSIL) Papanicolaou (Pap) smears. Materials and Methods: Two hundred women (150 pre-menopausal and 50 post-menopausal) with ASC-US and LSIL cytology who attended the colposcopy clinic, Thammasat University Hospital, between March 2013 and August 2014 were included. All women underwent VIA testing and colposcopy by gynecologic oncologists. Diagnostic values of VIA testing including sensitivity, specificity, positive predictive value (PPV) and negative predictive value (NPV) for detecting high-grade CIN were determined using the histopathology obtained from colposcopic-directed biopsy as a gold standard. Results: VIA testing was positive in 54/150 (36%) pre-menopausal women and 5/50 (10%) post-menopausal women. Out of 54 pre-menopausal women with positive VIA testing, 15 (27.8%) had high-grade CIN and 39 (72.2%) had either CIN 1 or insignificant pathology. Ten (10.4%), 43 (44.8%) and 43 (44.8%) out of the remaining 96 pre-menopausal women with negative VIA testing had high-grade CIN, CIN 1 and insignificant pathology, respectively. Out of 5 post-menopausal women with positive VIA testing, there were 4 (80%) women with high-grade CIN, and 1 (20%) women with insignificant pathology. Out of 45 VIA-negative post-menopausal women, 42 (93.3%) women had CIN 1 and insignificant pathology, and 3 (6.7%) had high-grade CIN. Sensitivity, specificity, PPV and NPV of the VIA testing were 59.4%, 76.2%, 32.2% and 90.8%, respectively (60%, 68.8%, 27.8% and 89.6% in pre-menopausal women and 57.1%, 97.7%, 80% and 93.3% in post-menopausal women). Conclusions: VIA testing may be used as a screening tool for detecting high-grade CIN in women with minor cervical cytological abnormalities in a low-resource setting in order to lower the rate of colposcopy referral.

Functional Movement Screen as a Predictor of Occupational Injury Among Denver Firefighters

  • Shore, Erin;Dally, Miranda;Brooks, Shawn;Ostendorf, Danielle;Newman, Madeline;Newman, Lee
    • Safety and Health at Work
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    • v.11 no.3
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    • pp.301-306
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    • 2020
  • Background: The Functional Movement Screen (FMSTM) is a screening tool used to assess an individual's ability to perform fundamental movements that are necessary to do physically active tasks. The purpose of this study was to assess the ability of FMS to predict occupational injury among Denver Fire Department firefighters. Method: FMS tests were administered from 2012 to 2016. Claim status was defined as any claim occurrence vs. no claim and an overexertion vs. no claim/other claim within 1 year of the FMS. To assess associations between FMS score and claim status, FMS scores were dichotomized into ≤ 14 and > 14. Age-adjusted odds ratios were calculated using logistic regression. Sensitivities and specificities of FMS predicting claims at various FMS score cut points, ranging from 10 to 20 were tested. Results: Of 581 firefighters (mean ± SD, age 38 ± 9.8 y) who completed FMS between February 2015 and March 2018, 188 (32.4%) filed a WC claim in the study time frame. Seventy-two of those (38.3%) were categorized as overexertion claims. There was no association between FMS score and claim status [odds ratio (OR) = 1.27, 95% confidence interval (CI): 0.88 - 1.83] and overexertion claim vs. no claim/other claim (OR = 1.33, 95% CI: 0.81 - 2.21). There was no optimal cutoff for FMS in predicting a WC claim. Conclusions: Although the FMS has been predictive of injuries in other populations, among this sample of firefighters, it was not predictive of a future WC claim.

Agreement between Parents and Teachers on School Children's Emotional/Behavioral Problems (학령기 아동 정서.행동문제에 대한 부모-교사 평가 일치도)

  • Park, Hyo-In;Kim, Jin-Mi;Park, Yong-Chon;Kim, Seok-Hyeon;Ahn, Dong-Hyun
    • Journal of the Korean Academy of Child and Adolescent Psychiatry
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    • v.21 no.3
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    • pp.161-167
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    • 2010
  • Objectives: In assessing behavioral/emotional problems in school-aged children, the importance of multi-informant reporting has been well documented. However, in clinical settings obtaining multiple informants' opinions has proven difficult. For that reason, we researched the agreement and predictive validity of the Child Problem-Behavior Screening Questionnaire (CPSQ) in order to reveal how accurate parents' assessments reflected teachers'opinions. Methods: We conducted the first screening for second- and third-grade children from 3 elementary schools in Seoul from 2003 to 2007 using the CPSQ. There were 1178 children included in the analysis. We then administered the Korean version of the Child Behavior Checklist (K-CBCL) as a second screening tool and subsequently, the ADHD Diagnostic System (ADS) and the Korean Educational Development Institute version of the Wechsler Intelligence Scale for Children (KEDI-WISC) was administered by a psychiatrist. We examined each item on the CPSQ and the subscale's agreement between parent and teacher as well as the predictive validity of the CPSQ in children diagnosed with emotional/behavioral problems. Results: The agreement rates between parents and teachers appeared high for questions 18 (0.433), 1 (0.385), and 2 (0.325). Among the subscales, a relatively high correlation was found for externalizing problems, attention deficit hyperactivity disorder, and cognitive problems. For all diagnosed children, their parents revealed a higher sensitivity and lower specificity than teachers. Conclusion: From these results, we confirmed that the CPSQ can be useful for sorting out externalizing and cognitive problems. There is a need for further study, however, with a larger sample size.

A Clinical Score and Ultrasonography for the Diagnosis of Childhood Acute Appendicits (소아급성충수염의 진단에서 점수제와 초음파검사)

  • Chung, Jae-Hee;Jeon, Su-Youn;Song, Young-Tack
    • Advances in pediatric surgery
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    • v.10 no.2
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    • pp.117-122
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    • 2004
  • Diagnosis of acute appendicitis in children is sometimes difficult. The aim of this study is to validate a clinical scoring system and ultrasonography for the early diagnosis and treatment of appendicitis in childhood. This is a prospective study on 59 children admitted with abdominal pain at St. Mary's Hospital, the Catholic University of Korea from July 2002 to August 2003. We applied Madan Samuel's Pediatric Appendicitis Score (PAS) based on preoperative history, physical examination, laboratory finding and ultrasonography. This study was designed as follows: patients with score 5 or less were observed regardless of the positive ultrasonographic finding, patients with score 6 and 7 were decided according to the ultrasonogram and patients above score 8 were operated in spite of negative ultrasonographic finding. The patients were divided into two groups, appendicitis (group A) and non-appendicitis groups (group B). Group A consisted of 36 cases and Group B, 23 cases. Mean score of group A was 8.75 and group B was 6.13 (p<0.001). Comparing the diagnostic methods in acute appendicitis by surveying sensitivity, specificity, positive predictive value, negative predictive value, and accuracy, PAS gave 1.0000, 0.3043, 0.6923, 1.0000, and 0.7288, and ultrasonography gave 0.7778, 0.9130, 0.9333, 0.7241, and 0.8300 while the combined test gave 1.0000, 0.8696, 0.9231, 1.0000, and 0.9490, respectively. Negative laparotomy rate was 3 %. In conclusion, the combination of PAS and ultrasonography is a more accurate diagnostic tool than either PAS or ultrasonography.

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Validation of Three Breast Cancer Nomograms and a New Formula for Predicting Non-sentinel Lymph Node Status

  • Derici, Serhan;Sevinc, Ali;Harmancioglu, Omer;Saydam, Serdar;Kocdor, Mehmet;Aksoy, Suleyman;Egeli, Tufan;Canda, Tulay;Ellidokuz, Hulya;Derici, Solen
    • Asian Pacific Journal of Cancer Prevention
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    • v.13 no.12
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    • pp.6181-6185
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    • 2012
  • Background: The aim of the study was to evaluate the available breast nomograms (MSKCC, Stanford, Tenon) to predict non-sentinel lymph node metastasis (NSLNM) and to determine variables for NSLNM in SLN positive breast cancer patients in our population. Materials and Methods: We retrospectively reviewed 170 patients who underwent completion axillary lymph node dissection between Jul 2008 and Aug 2010 in our hospital. We validated three nomograms (MSKCC, Stanford, Tenon). The likelihood of having positive NSLNM based on various factors was evaluated by use of univariate analysis. Stepwise multivariate analysis was applied to estimate a predictive model for NSLNM. Four factors were found to contribute significantly to the logistic regression model, allowing design of a new formula to predict non-sentinel lymph node metastasis. The AUCs of the ROCs were used to describe the performance of the diagnostic value of MSKCC, Stanford, Tenon nomograms and our new nomogram. Results: After stepwise multiple logistic regression analysis, multifocality, proportion of positive SLN to total SLN, LVI, SLN extracapsular extention were found to be statistically significant. AUC results were MSKCC: 0.713/Tenon: 0.671/Stanford: 0.534/DEU: 0.814. Conclusions: The MSKCC nomogram proved to be a good discriminator of NSLN metastasis in SLN positive BC patients for our population. Stanford and Tenon nomograms were not as predictive of NSLN metastasis. Our newly created formula was the best prediction tool for discriminate of NSLN metastasis in SLN positive BC patients for our population. We recommend that nomograms be validated before use in specific populations, and more than one validated nomogram may be used together while consulting patients.

Accuracy of Self-Checked Fecal Occult Blood Testing for Colorectal Cancer in Thai Patients

  • Lohsiriwat, Varut
    • Asian Pacific Journal of Cancer Prevention
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    • v.15 no.18
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    • pp.7981-7984
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    • 2014
  • Purpose: Colorectal cancer (CRC) screening with fecal occult blood testing (FOBT) has been associated with a reduction in CRC incidence and CRC-related mortality. However, a conventional FOBT requires stool collection and handling, which may be inconvenient for participants. The EZ-Detect$^{TM}$ (Siam Pharmaceutical Thailand) is a FDA-approved chromogen-substrate based FOBT which is basically a self-checked FOBT (no stool handling required). This study aimed to evaluate the accuracy of EZ-Detect for CRC detection. Methods: This prospective study was conducted in the Faculty of Medicine, Siriraj Hospital, Bangkok, Thailand between November 2013 and May 2014. Some 96 patients with histologically-proven CRC and 101 patients with normal colonoscopic findings were invited to perform self-checked FOBT according to the manufacturer's instructions. Results were compared with endoscopic and pathologic findings. Sensitivity, specificity, positive predictive value (PPV), and negative predictive value (NPV) for CRC detection were calculated. Results: The present study revealed the sensitivity, specificity, PPV and NPV of this self-checked FOBT for CRC detection to be 41% (95% CI: 31-51), 97% (95% CI: 92-99), 93% (95% CI: 81-98) and 63% (95% CI: 55-70), respectively. The overall accuracy of the self-checked FOBT for identifying CRC was 70%. The sensitivity for CRC detection based on 7th AJCC staging was 29% for stage I, 32% for stage II and 50% for stage III/IV (P=0.19). The sensitivity was 33% for proximal colon and 42% for distal colon and rectal cancer (P=0.76). Notably, none of nine infiltrative lesions gave a positive FOBT. Conclusions: The self-checked FOBT had an acceptable accuracy of CRC detection except for infiltrative tumors. This home-administrated or 'DIY' do-it-yourself FOBT could be considered as one non-invasive and convenient tool for CRC screening.