J Chem Inf Model - Two new parameters based on distances in a receiver operating characteristic chart for the selection of classification models.

Tópicos

{ model(2341) predict(2261) use(1141) }
{ method(1557) propos(1049) approach(1037) }
{ chang(1828) time(1643) increas(1301) }
{ perform(999) metric(946) measur(919) }
{ model(3480) simul(1196) paramet(876) }
{ high(1669) rate(1365) level(1280) }
{ general(901) number(790) one(736) }
{ learn(2355) train(1041) set(1003) }
{ design(1359) user(1324) use(1319) }
{ featur(3375) classif(2383) classifi(1994) }
{ howev(809) still(633) remain(590) }
{ model(2656) set(1616) predict(1553) }
{ structur(1116) can(940) graph(676) }
{ measur(2081) correl(1212) valu(896) }
{ health(3367) inform(1360) care(1135) }
{ signal(2180) analysi(812) frequenc(800) }
{ data(3008) multipl(1320) sourc(1022) }
{ can(981) present(881) function(850) }
{ use(1733) differ(960) four(931) }
{ activ(1452) weight(1219) physic(1104) }
{ detect(2391) sensit(1101) algorithm(908) }
{ imag(1057) registr(996) error(939) }
{ studi(2440) review(1878) systemat(933) }
{ control(1307) perform(991) simul(935) }
{ model(2220) cell(1177) simul(1124) }
{ ehr(2073) health(1662) electron(1139) }
{ state(1844) use(1261) util(961) }
{ patient(2837) hospit(1953) medic(668) }
{ analysi(2126) use(1163) compon(1037) }
{ use(976) code(926) identifi(902) }
{ method(1969) cluster(1462) data(1082) }
{ model(3404) distribut(989) bayesian(671) }
{ can(774) often(719) complex(702) }
{ imag(1947) propos(1133) code(1026) }
{ data(1737) use(1416) pattern(1282) }
{ inform(2794) health(2639) internet(1427) }
{ system(1976) rule(880) can(841) }
{ bind(1733) structur(1185) ligand(1036) }
{ sequenc(1873) structur(1644) protein(1328) }
{ method(1219) similar(1157) match(930) }
{ imag(2830) propos(1344) filter(1198) }
{ network(2748) neural(1063) input(814) }
{ imag(2675) segment(2577) method(1081) }
{ patient(2315) diseas(1263) diabet(1191) }
{ take(945) account(800) differ(722) }
{ motion(1329) object(1292) video(1091) }
{ assess(1506) score(1403) qualiti(1306) }
{ treatment(1704) effect(941) patient(846) }
{ surgeri(1148) surgic(1085) robot(1054) }
{ framework(1458) process(801) describ(734) }
{ problem(2511) optim(1539) algorithm(950) }
{ error(1145) method(1030) estim(1020) }
{ concept(1167) ontolog(924) domain(897) }
{ clinic(1479) use(1117) guidelin(835) }
{ algorithm(1844) comput(1787) effici(935) }
{ extract(1171) text(1153) clinic(932) }
{ data(1714) softwar(1251) tool(1186) }
{ care(1570) inform(1187) nurs(1089) }
{ method(984) reconstruct(947) comput(926) }
{ search(2224) databas(1162) retriev(909) }
{ featur(1941) imag(1645) propos(1176) }
{ case(1353) use(1143) diagnosi(1136) }
{ data(3963) clinic(1234) research(1004) }
{ studi(1410) differ(1259) use(1210) }
{ risk(3053) factor(974) diseas(938) }
{ research(1085) discuss(1038) issu(1018) }
{ system(1050) medic(1026) inform(1018) }
{ import(1318) role(1303) understand(862) }
{ visual(1396) interact(850) tool(830) }
{ compound(1573) activ(1297) structur(1058) }
{ perform(1367) use(1326) method(1137) }
{ studi(1119) effect(1106) posit(819) }
{ blood(1257) pressur(1144) flow(957) }
{ spatial(1525) area(1432) region(1030) }
{ record(1888) medic(1808) patient(1693) }
{ monitor(1329) mobil(1314) devic(1160) }
{ research(1218) medic(880) student(794) }
{ data(2317) use(1299) case(1017) }
{ age(1611) year(1155) adult(843) }
{ medic(1828) order(1363) alert(1069) }
{ cost(1906) reduc(1198) effect(832) }
{ group(2977) signific(1463) compar(1072) }
{ sampl(1606) size(1419) use(1276) }
{ gene(2352) biolog(1181) express(1162) }
{ first(2504) two(1366) second(1323) }
{ intervent(3218) particip(2042) group(1664) }
{ activ(1138) subject(705) human(624) }
{ time(1939) patient(1703) rate(768) }
{ patient(1821) servic(1111) care(1106) }
{ use(2086) technolog(871) perceiv(783) }
{ health(1844) social(1437) communiti(874) }
{ cancer(2502) breast(956) screen(824) }
{ drug(1928) target(777) effect(648) }
{ result(1111) use(1088) new(759) }
{ implement(1333) system(1263) develop(1122) }
{ survey(1388) particip(1329) question(1065) }
{ estim(2440) model(1874) function(577) }
{ decis(3086) make(1611) patient(1517) }
{ process(1125) use(805) approach(778) }
{ method(2212) result(1239) propos(1039) }

Resumo

There are several indices that provide an indication of different types on the performance of QSAR classification models, being the area under a Receiver Operating Characteristic (ROC) curve still the most powerful test to overall assess such performance. All ROC related parameters can be calculated for both the training and test sets, but, nevertheless, neither of them constitutes an absolute indicator of the classification performance by themselves. Moreover, one of the biggest drawbacks is the computing time needed to obtain the area under the ROC curve, which naturally slows down any calculation algorithm. The present study proposes two new parameters based on distances in a ROC curve for the selection of classification models with an appropriate balance in both training and test sets, namely the following: the ROC graph Euclidean distance (ROCED) and the ROC graph Euclidean distance corrected with Fitness Function (FIT()) (ROCFIT). The behavior of these indices was observed through the study on the mutagenicity for four genotoxicity end points of a number of nonaromatic halogenated derivatives. It was found that the ROCED parameter gets a better balance between sensitivity and specificity for both the training and prediction sets than other indices such as the Matthews correlation coefficient, the Wilk's lambda, or parameters like the area under the ROC curve. However, when the ROCED parameter was used, the follow-on linear discriminant models showed the lower statistical significance. But the other parameter, ROCFIT, maintains the ROCED capabilities while improving the significance of the models due to the inclusion of FIT().

Resumo Limpo

sever indic provid indic differ type perform qsar classif model area receiv oper characterist roc curv still power test overal assess perform roc relat paramet can calcul train test set nevertheless neither constitut absolut indic classif perform moreov one biggest drawback comput time need obtain area roc curv natur slow calcul algorithm present studi propos two new paramet base distanc roc curv select classif model appropri balanc train test set name follow roc graph euclidean distanc roce roc graph euclidean distanc correct fit function fit rocfit behavior indic observ studi mutagen four genotox end point number nonaromat halogen deriv found roce paramet get better balanc sensit specif train predict set indic matthew correl coeffici wilk lambda paramet like area roc curv howev roce paramet use followon linear discrimin model show lower statist signific paramet rocfit maintain roce capabl improv signific model due inclus fit

Resumos Similares

Neural Comput - An extension of the receiver operating characteristic curve and AUC-optimal classification. ( 0,829426205490369 )
Lifetime Data Anal - Understanding increments in model performance metrics. ( 0,806837739098751 )
Appl Clin Inform - Comparing predictions made by a prediction model, clinical score, and physicians: pediatric asthma exacerbations in the emergency department. ( 0,802152247790082 )
Comput Methods Programs Biomed - Prediction of postprandial blood glucose under uncertainty and intra-patient variability in type 1 diabetes: a comparative study of three interval models. ( 0,798784251787987 )
Comput Math Methods Med - Variable selection in ROC regression. ( 0,793882450534374 )
J Am Med Inform Assoc - An improved model for predicting postoperative nausea and vomiting in ambulatory surgery patients using physician-modifiable risk factors. ( 0,791295724451418 )
Comput Methods Programs Biomed - Single stage and multistage classification models for the prediction of liver fibrosis degree in patients with chronic hepatitis C infection. ( 0,783154215868242 )
BMC Med Inform Decis Mak - Artificial neural network models for prediction of cardiovascular autonomic dysfunction in general Chinese population. ( 0,780163785052763 )
J. Comput. Biol. - Prediction of siRNA potency using sparse logistic regression. ( 0,776869574176138 )
AMIA Annu Symp Proc - Predicting Surgical Risk: How Much Data is Enough? ( 0,774873891464465 )
BMC Med Inform Decis Mak - A three-step approach for the derivation and validation of high-performing predictive models using an operational dataset: congestive heart failure readmission case study. ( 0,770727677464372 )
Comput Methods Programs Biomed - Recurrence predictive models for patients with hepatocellular carcinoma after radiofrequency ablation using support vector machines with feature selection methods. ( 0,752905870898075 )
BMC Med Inform Decis Mak - Use of outcomes to evaluate surveillance systems for bioterrorist attacks. ( 0,747825631626028 )
BMC Med Inform Decis Mak - Prediction of axillary lymph node metastasis in primary breast cancer patients using a decision tree-based model. ( 0,744177931406512 )
J Chem Inf Model - Are bigger data sets better for machine learning? Fusing single-point and dual-event dose response data for Mycobacterium tuberculosis. ( 0,737703551565537 )
Med Decis Making - Application of an artificial neural network to predict postinduction hypotension during general anesthesia. ( 0,737482405689845 )
Comput Math Methods Med - Modified logistic regression models using gene coexpression and clinical features to predict prostate cancer progression. ( 0,73636675983807 )
J Clin Monit Comput - Use of genetic programming, logistic regression, and artificial neural nets to predict readmission after coronary artery bypass surgery. ( 0,734739799608366 )
J Biomed Inform - Decision-making model for early diagnosis of congestive heart failure using rough set and decision tree approaches. ( 0,734219404672846 )
J Biomed Inform - Statistical process control for validating a classification tree model for predicting mortality--a novel approach towards temporal validation. ( 0,733132294649875 )
Med Decis Making - A comparison of methods for converting DCE values onto the full health-dead QALY scale. ( 0,728667337060463 )
BMC Med Inform Decis Mak - Evaluation of prediction models for the staging of prostate cancer. ( 0,728653945072907 )
BMC Med Inform Decis Mak - Non-linear dynamical signal characterization for prediction of defibrillation success through machine learning. ( 0,728244384747981 )
Artif Intell Med - Prediction of human major histocompatibility complex class II binding peptides by continuous kernel discrimination method. ( 0,727428460248825 )
J Med Syst - Classifying hospitals as mortality outliers: logistic versus hierarchical logistic models. ( 0,727417527490529 )
J Am Med Inform Assoc - Supervised embedding of textual predictors with applications in clinical diagnostics for pediatric cardiology. ( 0,727307590786225 )
J Biomed Inform - Not just data: a method for improving prediction with knowledge. ( 0,72621704459447 )
J Chem Inf Model - Ligand efficiency-based support vector regression models for predicting bioactivities of ligands to drug target proteins. ( 0,724788092022168 )
Int J Health Geogr - Prediction of high-risk areas for visceral leishmaniasis using socioeconomic indicators and remote sensing data. ( 0,718295400569314 )
Methods Inf Med - Classification of postural profiles among mouth-breathing children by learning vector quantization. ( 0,718171936386771 )
Med Decis Making - Adaptation of clinical prediction models for application in local settings. ( 0,717722901801003 )
Comput. Biol. Med. - A knowledge-driven probabilistic framework for the prediction of protein-protein interaction networks. ( 0,715847481815237 )
Comput. Biol. Med. - A ternary model of decompression sickness in rats. ( 0,712293532632743 )
Methods Inf Med - Limited sampling strategies to estimate the area under the concentration-time curve. Biases and a proposed more accurate method. ( 0,710446183261186 )
Comput. Biol. Med. - Pre-operative prediction of surgical morbidity in children: comparison of five statistical models. ( 0,708437621303624 )
Int J Med Inform - Application of data mining to the identification of critical factors in patient falls using a web-based reporting system. ( 0,707942039640925 )
J Biomed Inform - An empirical approach to model selection through validation for censored survival data. ( 0,70194897528637 )
Med Decis Making - Performance of a mathematical model to forecast lives saved from HIV treatment expansion in resource-limited settings. ( 0,701501408506975 )
Med Decis Making - Performance profiling in primary care: does the choice of statistical model matter? ( 0,701352727153651 )
Comput Methods Programs Biomed - Development of a daily mortality probability prediction model from Intensive Care Unit patients using a discrete-time event history analysis. ( 0,700996128608042 )
J Med Syst - A new approach: role of data mining in prediction of survival of burn patients. ( 0,690262626366376 )
J Med Syst - Effective automated prediction of vertebral column pathologies based on logistic model tree with SMOTE preprocessing. ( 0,688382844167051 )
Med Decis Making - Constructing proper ROCs from ordinal response data using weighted power functions. ( 0,688350308569704 )
BMC Med Inform Decis Mak - Mining geriatric assessment data for in-patient fall prediction models and high-risk subgroups. ( 0,687566600213106 )
IEEE Trans Image Process - Network-based H.264/AVC whole frame loss visibility model and frame dropping methods. ( 0,681739687612328 )
Comput Math Methods Med - Prediction of BP reactivity to talking using hybrid soft computing approaches. ( 0,675594740255242 )
IEEE J Biomed Health Inform - The effect of sample age and prediction resolution on myocardial infarction risk prediction. ( 0,67524639217174 )
Med Biol Eng Comput - System identification of the mechanomyogram from single motor units during voluntary isometric contraction. ( 0,674876654539348 )
Appl Clin Inform - Exploring the value of clinical data standards to predict hospitalization of home care patients. ( 0,671709790483131 )
Comput Math Methods Med - Iterative reweighted noninteger norm regularizing SVM for gene expression data classification. ( 0,671331847559385 )
BMC Med Inform Decis Mak - Bayesian predictors of very poor health related quality of life and mortality in patients with COPD. ( 0,670187415094856 )
J Biomed Inform - Partial least squares and logistic regression random-effects estimates for gene selection in supervised classification of gene expression data. ( 0,667505001811398 )
AMIA Annu Symp Proc - Development and implementation of a real-time 30-day readmission predictive model. ( 0,665436305069719 )
J Biomed Inform - Prediction of influenza vaccination outcome by neural networks and logistic regression. ( 0,665087520210376 )
BMC Med Inform Decis Mak - Computerized prediction of intensive care unit discharge after cardiac surgery: development and validation of a Gaussian processes model. ( 0,664341199070563 )
Spat Spatiotemporal Epidemiol - Modeling habitat suitability for occurrence of highly pathogenic avian influenza virus H5N1 in domestic poultry in Asia: a spatial multicriteria decision analysis approach. ( 0,66139580304628 )
Brief. Bioinformatics - Caveats and pitfalls of ROC analysis in clinical microarray research (and how to avoid them). ( 0,656356274004035 )
BMC Med Inform Decis Mak - Prediction of adverse cardiac events in emergency department patients with chest pain using machine learning for variable selection. ( 0,655169019888989 )
Med Decis Making - Lehmann family of ROC curves. ( 0,654984228164491 )
Comput Math Methods Med - SNP selection in genome-wide association studies via penalized support vector machine with MAX test. ( 0,652564407645931 )
J Am Med Inform Assoc - Machine learning for predicting the response of breast cancer to neoadjuvant chemotherapy. ( 0,652291434792525 )
Methods Inf Med - A probabilistic model to investigate the properties of prognostic tools for falls. ( 0,652142303984303 )
J Med Syst - Comparison of artificial neural networks with logistic regression for detection of obesity. ( 0,644506774458716 )
BMC Med Inform Decis Mak - Artificial neural network aided non-invasive grading evaluation of hepatic fibrosis by duplex ultrasonography. ( 0,642307649496238 )
Artif Intell Med - Machine learning of clinical performance in a pancreatic cancer database. ( 0,641849191661337 )
Comput. Biol. Med. - A leave-one-out cross-validation SAS macro for the identification of markers associated with survival. ( 0,640402621911233 )
Comput Methods Programs Biomed - Exploring an optimal vector autoregressive model for multi-channel pulmonary sound data. ( 0,636239204529651 )
AMIA Annu Symp Proc - Decision path models for patient-specific modeling of patient outcomes. ( 0,634976243065858 )
Brief. Bioinformatics - Added predictive value of high-throughput molecular data to clinical data and its validation. ( 0,634543812831399 )
Brief. Bioinformatics - Adjusting confounders in ranking biomarkers: a model-based ROC approach. ( 0,626952278278884 )
J Am Med Inform Assoc - Word sense disambiguation in the clinical domain: a comparison of knowledge-rich and knowledge-poor unsupervised methods. ( 0,623242201092698 )
Med Decis Making - Development of inpatient risk stratification models of acute kidney injury for use in electronic health records. ( 0,621915701972397 )
BMC Med Inform Decis Mak - Decision curve analysis revisited: overall net benefit, relationships to ROC curve analysis, and application to case-control studies. ( 0,617956013832694 )
Artif Intell Med - Predicting the need for CT imaging in children with minor head injury using an ensemble of Naive Bayes classifiers. ( 0,615771273145194 )
Artif Intell Med - Machine learning for improved pathological staging of prostate cancer: a performance comparison on a range of classifiers. ( 0,615317499728234 )
J Biomed Inform - Use of Medical Subject Headings (MeSH) in Portuguese for categorizing web-based healthcare content. ( 0,613497258921126 )
AMIA Annu Symp Proc - Developing predictive models using electronic medical records: challenges and pitfalls. ( 0,611287141873001 )
Comput Biol Chem - Using ensemble methods to deal with imbalanced data in predicting protein-protein interactions. ( 0,609145437966015 )
Methods Inf Med - Sensor-based fall risk assessment--an expert 'to go'. ( 0,607862471509754 )
Comput Biol Chem - An ensemble method for prediction of conformational B-cell epitopes from antigen sequences. ( 0,607788687153329 )
Spat Spatiotemporal Epidemiol - Assessment of land use factors associated with dengue cases in Malaysia using Boosted Regression Trees. ( 0,604254639186465 )
IEEE J Biomed Health Inform - Novel fractal feature-based multiclass glaucoma detection and progression prediction. ( 0,602775694213223 )
J Am Med Inform Assoc - From vital signs to clinical outcomes for patients with sepsis: a machine learning basis for a clinical decision support system. ( 0,602622240507751 )
IEEE Trans Image Process - Monotonic regression: a new way for correlating subjective and objective ratings in image quality research. ( 0,602167779236185 )
Artif Intell Med - Predicting patient survival after liver transplantation using evolutionary multi-objective artificial neural networks. ( 0,600581774283761 )
J Chem Inf Model - Predictive toxicology modeling: protocols for exploring hERG classification and Tetrahymena pyriformis end point predictions. ( 0,600200961543898 )
IEEE Trans Image Process - DEB: definite error bounded tangent estimator for digital curves. ( 0,598965156541702 )
J Med Syst - A meta-composite software development approach for translational research. ( 0,597192626564772 )
Int J Health Geogr - Modeling larval malaria vector habitat locations using landscape features and cumulative precipitation measures. ( 0,59642721057949 )
AMIA Annu Symp Proc - Clinical risk prediction by exploring high-order feature correlations. ( 0,595898737152028 )
Med Biol Eng Comput - Mortality prediction of rats in acute hemorrhagic shock using machine learning techniques. ( 0,595504304464687 )
Int J Health Geogr - Assessing the effects of variables and background selection on the capture of the tick climate niche. ( 0,59236876348552 )
Comput Math Methods Med - Screening for prediabetes using machine learning models. ( 0,592170649650448 )
Int J Health Geogr - Application of satellite precipitation data to analyse and model arbovirus activity in the tropics. ( 0,591805936653348 )
Comput Methods Programs Biomed - Development of a new, fast, user friendly, ray tracing program CSIM for the simulation of parallelhole collimators. ( 0,591289405880258 )
Med Decis Making - Predictive Modeling of Implantation Outcome in an In Vitro Fertilization Setting: An Application of Machine Learning Methods. ( 0,589454273177357 )
Brief. Bioinformatics - Critical assessment of high-throughput standalone methods for secondary structure prediction. ( 0,589082494980058 )
Spat Spatiotemporal Epidemiol - Supervised learning and prediction of spatial epidemics. ( 0,587094709215647 )
Int J Health Geogr - Ecological niche model of Phlebotomus alexandri and P. papatasi (Diptera: Psychodidae) in the Middle East. ( 0,586403384487852 )
Med Biol Eng Comput - New feature extraction approach for epileptic EEG signal detection using time-frequency distributions. ( 0,585373294500818 )