Background: The biological activity of a compound is assumed to be encoded in its chemical composition and geometric structure, from which physico-chemical, electrotopological, and graph theory-derived properties can be determined. Objective: This study aimed to identify the molecular descriptors derived from Dragon® 6 software that can discriminate compounds as drug or nondrug Methodology: Over 4000 molecular properties were obtained for approximately 2000 known drugs and 2000 nondrugs on which Linear Discriminant Analysis was performed. Results: Compounds can be discriminated between drug and nondrug with 81% accuracy using only two molecular descriptors, the information index HVcpx and the topological index MDDD. Conclusion A “Rule of Three” (HVcpx ≤ 3 and MDDD ≥ 30) seems to confer druglikeness in compounds. This rule can be used as additional filter in high throughput screening of compounds in any drug discovery research.
Discriminant Analysis ; Drug Discovery

Pelvic bone is the representative bone which has the quite different features discriminating the sex. And these features are well described in almost all gross anatomy textbooks. The parameters which are used to sex determination are relating to the those of obstetrics. To suggest the most significant parameters for sex discrimination with the bones, we have selected the frequently mentioned 21 metric fields of non-pathologic Korean pelvic bones, which sexes were already confirmed (M: 40, F : 19). Measuring theses metric measurements, the statistic procedure (descriptive statistics and discriminant analysis) were performed (SASPC version 6.11). The parameters showing more than 80% of discriminating probability are the acetabular length (Martin No. 22) and the pubic angle(Martin No. 16). The parameters showing more than 75% of discriminating probability are the transverse diameters of pelvic outlet (Martin No. 27), the breadth of greater sciatic notch, the ischiatic length (Martin No. 15a), the pelvic breadth (Martin No. 2), the obturator foramen long length (Martin No. 20), the obturator foramen short length (Martin No. 20) and the pelvic height (Martin No. 1).
Acetabulum ; Discriminant Analysis ; Obstetrics ; Pelvic Bones* ; Sexism*

Transrectal contrast-enhanced ultrasound (CEUS) is an important examination for rectal tumors. The inhomogeneity of the CEUS images has important clinical significance. However, there is no objective method to evaluate this index. In this study, a method based on gray-level co-occurrence matrix (GLCM) is proposed to extract texture features of images and grade these images according the inhomogeneity. Specific processes include compressing the gray level of the image, calculating the texture statistics of gray level co-occurrence matrix, combining feature selection and principal component analysis (PCA) for dimensionality reduction, and training and validating quadratic discriminant analysis (QDA). After ten cross-validation, the overall accuracy rate of machine classification was 87.01%, and the accuracy of each level was as follows: Grade Ⅰ 52.94%, Grade Ⅱ 96.48% and Grade Ⅲ 92.35% respectively. The proposed method has high accuracy in judging grade Ⅱ and Ⅲ images, which can help to identify the grade of inhomogeneity of contrast-enhanced ultrasound images of rectal tumors, and may be used to assist clinical doctors in judging the grade of inhomogeneity of contrast-enhanced ultrasound of rectal tumors.
Discriminant Analysis ; Humans ; Rectal Neoplasms ; Ultrasonography

The purpose of this study was to reevaluate the sho of goshuyuto, which has been established in an unscientific manner, and to create a new concept of the sho of goshuyuto. Eighty-four patients suffering from chronic headache were instructed to orally consume 7.5g. day of a spray-dried powder of goshuyuto (TJ-31) for 4 weeks. Before consuming the TJ-31, all subjects underwent Kampo examinations that were based on 43 diagnostic items. After the 4-week period of medication, all the subjects were classified as either responders or nonresponders. After excluding insignificant items from the 43 diagnostic items, discriminant analysis, which discriminated between responders and nonresponders, was conducted. Of the 80 subjects who completed the trial period, 57 were judged to be responders and 23 to be nonresponders. “Cold feet,” “fluid and gas retention in the stomach,” “kyokyo-kuman,” “tenderness at side of navel,” and “pulsation at abdomen” were selected by stepwise selection. The results of the discriminant analysis using these 5 items suggest that 28 subjects were misclassified and that the misclassification rate was 35%. Of the actual 23 nonresponders, 20 were accurately discriminated as nonresponders. The 5 selected items are suggested to be more useful in selecting the nonresponders than the responders. In conclusion, the empirically established sho of goshuyuto seemed to not be abele to completely explain the indication of goshuyuto. However, the inclusion of “tenderness at side of navel” and “pulsation at abdomen,” as new components comprising the sho of goshuyuto, may facilitate a more accurate indication of goshuyuto.
Statistical Analysis ; Emotional tenderness ; week ; Discriminant Analysis ; Abdomen

This study explored the feasibility of mineral element content and ratios of nitrogen isotopes to discriminate the cultivation mode of Dendrobium nobile in order to provide theoretical support for the discrimination of the cultivation mode of D. nobile. The content of 11 mineral elements(N, K, Ca, P, Mg, Na, Fe, Cu, Zn, Mn, and B) and nitrogen isotope ratios in D. nobile and its substrate samples in three cultivation methods(greenhouse cultivation, tree-attached cultivation, and stone-attached cultivation) were determined. According to the analysis of variance, principal component analysis, and stepwise discriminant analysis, the samples of different cultivation types were classified. The results showed that the nitrogen isotope ratios and the content of elements except for Zn were significantly different among different cultivation types of D. nobile(P<0.05). The results of correlation analysis showed that the nitrogen isotope ratios, mineral element content, and effective component content in D. nobile were correlated with the nitrogen isotope ratio and mineral element content in the corresponding substrate samples to varying degrees. Principal component analysis can preliminarily classify the samples of D. nobile, but some samples overlapped. Through stepwise discriminant analysis, six indicators, including δ~(15)N, K, Cu, P, Na, and Ca, were screened out, which could be used to establish the discriminant model of D. nobile cultivation methods, and the overall correct discrimination rates after back-substitution test, cross-check, and external validation were all 100%. Therefore, nitrogen isotope ratios and mineral element fingerprints combined with multivariate statistical analysis could effectively discriminate the cultivation types of D. nobile. The results of this study provide a new method for the identification of the cultivation type and production area of D. nobile and an experimental basis for the quality evaluation and quality control of D. nobile.
Dendrobium ; Minerals ; Discriminant Analysis ; Multivariate Analysis ; Nitrogen Isotopes

Common spatial pattern (CSP) is a very popular method for spatial filtering to extract the features from electroencephalogram (EEG) signals, but it may cause serious over-fitting issue. In this paper, after the extraction and recognition of feature, we present a new way in which the recognition results are fused to overcome the over-fitting and improve recognition accuracy. And then a new framework for EEG recognition is proposed by using CSP to extract features from EEG signals, using linear discriminant analysis (LDA) classifiers to identify the user's mental state from such features, and using Choquet fuzzy integral to fuse classifiers results. Brain-computer interface (BCI) competition 2005 data sets IVa was used to validate the framework. The results demonstrated that it effective ly improved recognition and to some extent overcome the over-fitting problem of CSP. It showed the effectiveness of this framework for dealing with EEG.
Algorithms ; Brain-Computer Interfaces ; Discriminant Analysis ; Electroencephalography ; Humans

No abstract available.
Discriminant Analysis* ; Gait* ; Lower Extremity* ; Range of Motion, Articular*

This study was investigated to evaluate the morphologic characteristics of deepbite tendency as multiple factors. The subjects consisted of 60 control subjects(male 25, female 35) and 137 deepbite patients(68 male, 69 female). The deepbite group was composed of 4 subgroups(Class I 44, Class II div. 1 40, Class II div. 2 13, Class III 40). The mean age was 21.57 year for the control group 21 year for deepbite group lateral cephalograph in centric occlusion were taken, traced, and digitized for each subject. The statistically computerized analysis was carried out with SAS program. The results were as follows; 1. In deep bite group, saddle angle is lesser than that of normal group. 2. The vertical dysplasia is prominent on anterior lower face and is closely related with mandibular form and inclination. 3. Without consideration of sagittal relationship, the dental factors such as curve of Spee, interincisal angle, U1 to upper lip length were prominent in the deepbite group. 4. Although there were individual variances in the perioral soft tissue profile, the lip presented more protruded pattern. 5. There was no significant difference in hyoid bone position and inclination between normal and deepbite group. 6. The multivariate discriminant analysis between normal and Class I deepbite group showed that curve of Spee, AB-MP angle, interincisal angle, articular agnle were critical in the determination of deepbite as multiple factors.
Discriminant Analysis ; Female ; Humans ; Hyoid Bone ; Lip ; Male ; Overbite

Objective To construct a discriminant analysis model based on the differential expression of multiple microRNAs （miRNAs） in two kinds of blood samples （peripheral blood and menstrual blood） and three non-blood samples （saliva, semen and vaginal secretion）, to form an identification solution for peripheral blood and menstrual blood. Methods Six kinds of miRNA （miR-451a, miR-144-3p, miR-144-5p, miR-214-3p, miR-203-3p and miR-205-5p） were selected from literature, the samples of five kinds of body fluids commonly seen in forensic practice （peripheral blood, menstrual blood, saliva, semen, vaginal secretion） were collected, then the samples were divided into training set and testing set and detected by SYBR Green real-time qPCR. A discriminant analysis model was set up based on the expression data of training set and the expression data of testing set was used to examine the accuracy of the model. Results A discriminant analysis statistical model that could distinguish blood samples from non-blood samples and distinguish peripheral blood samples from menstrual blood samples at the same time was successfully constructed. The identification accuracy of the model was over 99%. Conclusion This study provides a scientific and accurate identification strategy for forensic fluid identification of peripheral blood and menstrual blood samples and could be used in forensic practice.
Body Fluids ; Discriminant Analysis ; Female ; Forensic Genetics ; MicroRNAs/genetics* ; Semen

OBJECTIVE: To compare the corneal biomechanical properties among keratoconus, subclinical keratoconus and normal corneas by using CorVis ST, and to estimate the effect of these biomechanical indices in discriminating keratoconus and subclinical keratoconus from normal. METHODS: A total of 76 eyes of 67 subjects were enrolled and divided into three groups. Keratoconus group included 24 eyes from 17 patients, subclinical keratoconus group included 12 eyes from 12 patients and normal group included 40 normal eyes from 40 subjects．All the eyes were assessed with CorVis ST and ten biomechanical parameters, intraocular pressure (IOP) and central corneal thickness (CCT) were obtained from this machine. The discrimination of biomechanical characteristic of the three groups based on the all indices was reflected by discriminant analysis and the Fisher discriminant function was established. RESULTS: The values of corneal biomechanics of keratoconus, subclinical keratoconus, normal eyes were increased in sequence, except for three indices: the second applamation time (A2T), time taken to reach highest concavity (HCT) and maximum corneal velocity during the first applanation (Vin). Three sets of data were among a statistically significant difference (P<0.05). There were statistically significant differences (P<0.05) between any two groups by comparing with such two indices: radius value of central concave curvature at highest concavity (HCR) and CCT. The grades of the three groups were obvious, evaluated by the discriminant function. The accuracy of reevaluation was 85% by validation method. The biggest contribution of indices in discriminant function was given by such four indices in sequence: CCT, HCR, maximum deformation amplitude of highest concavity (HCDA) and maximum corneal velocity during the second applanation (Vout). CONCLUSION The corneal biomechanical properties of keratoconus and subclinical keratoconus were decreased compared with normal eyes. The biomechanical parameters based on CorVis ST showed a good performance for discriminating among keratoconus, subclinical keratoconus and normal corneas.
Biomechanical Phenomena ; Cornea ; Discriminant Analysis ; Humans ; Keratoconus ; Tonometry, Ocular