The physical and chemical processes that influence contaminant transport through a saturated soil layer are presented. The computer program (1DContr) was developed based on existing analytical solutions for one-dimens...
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The physical and chemical processes that influence contaminant transport through a saturated soil layer are presented. The computer program (1DContr) was developed based on existing analytical solutions for one-dimensional transport of contaminants in a saturated soil layer. The computer program is given for pulse and continuous source. The formulation includes advective and dispersive transport as well as sorption and first order transformation. The computer program that is based on analytical solutions is recommended for preliminary design. (C) 2002 Elsevier Science Ltd. All rights reserved.
The continual reassessment method is a recommended dose escalation design for including patients in phase I clinical trials designed to estimate the maximum tolerated dose. However, for a particular trial, the impleme...
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The continual reassessment method is a recommended dose escalation design for including patients in phase I clinical trials designed to estimate the maximum tolerated dose. However, for a particular trial, the implementation of these methods requires extensive computer programming. Standard 3 + 3 designs do not require this, but have shown to possess poor statistical properties. np1 is a user friendly computer program which has implemented two continual reassessment methods for simulating and conducting a phase I clinical trial. Several options allow the user to investigate operating characteristics under various scenario. (c) 2007 Elsevier Ireland Ltd. All rights reserved.
POLARIO is a computer program to calculate total electronic polarizabilities, refractive energies, and refractive indices of transparent minerals and synthetic crystalline compounds from their chemical composition and...
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POLARIO is a computer program to calculate total electronic polarizabilities, refractive energies, and refractive indices of transparent minerals and synthetic crystalline compounds from their chemical composition and molar volume. If measured refractive indices or observed polarizabilities are entered, POLARIO also allows calculation of the deviation between observed and calculated values and determines the compatibility index as a measure of agreement. The density of the compound is calculated from the chemical composition and the molar volume of a formula unit. Atom parameters can be read in cif format to determine possible coordination numbers of cations and to compose the entire input necessary to do the calculations. It displays a table of interatomic distances and angles, and it shows the chemical composition with superscripted coordination numbers and valencies. The program is written in Delphi XE6 for WINDOWS operating systems and contains 5300 constants and parameters to do the calculations.
The R-f-Phi method is a powerful graphical approach for estimating finite strain of deformed elliptical objects, but one that students commonly find difficult to understand. We developed a program that allows users to...
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The R-f-Phi method is a powerful graphical approach for estimating finite strain of deformed elliptical objects, but one that students commonly find difficult to understand. We developed a program that allows users to explore visually how deforming a set of elliptical objects appears on R-f-Phi plots. A user creates or loads the ellipses and then deforms them by simple shear, pure shear, or rigid rotation. As the ratio of the long to short axis of the ellipses (R-f) and long-axis orientations (Phi) change in one window, the R-f-Phi plot continuously and instantaneously updates in another. Users can save snapshots of the deformed elliptical objects and the R-f-Phi plots to record graphical experiments. The program provides both R-f vs. Phi and polar ln(R-f) vs. 2(Phi) plots. The user can 'undeform' ellipses quickly and easily, making it possible to inspect the 'original' shapes and orientations of objects, and to evaluate the plausibility of the determined strain values. Users can export information about the pebbles' shape and orientation to spread-sheets for rigorous statistical analysis. This program is written in Java and so can run on virtually any operating system. Both the source code and the application will be freely available for academic purposes. (C) 2009 Elsevier Ltd. All rights reserved.
A new computer program called BuildQSAR has been designed to help the QSAR practitioner on the task of building and analyzing quantitative models through regression analysis. The main part of the program is a spreadsh...
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A new computer program called BuildQSAR has been designed to help the QSAR practitioner on the task of building and analyzing quantitative models through regression analysis. The main part of the program is a spreadsheet, in which the user can enter with the data set composed by the structure definition of the compounds, one or more types of biological activity values and many physicochemical properties. The program has an external data bank, which includes the values of many known substituent parameters. The common tasks that can be performed by the program are: (a) linear, quadratic and bilinear models;(b) graphics analysis;(c) correlation analysis and;(d) hypothesis testing. BuildQSAR can also: (e) build subsets of the data set that include groups of compounds chosen by the user: (f) create new variables, derived from the existing ones, and create many types of indicator variables;(g) build data sets directly from the data bank by selecting the substituents and the variables therein;(h) perform variable selection by systematic search and generic algorithm;(i) perform cross-validation of specific models;(j) eliminate outliers and analyze the resulting model;and others. The program was coded in Delphi 5 and runs in Windows 95/98/00/NT environments.
GelBandFitter is a computer program that uses non-linear regression techniques to fit mathematical functions to densitometry profiles of protein gels. This allows for improved quantification of gels with partially ove...
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GelBandFitter is a computer program that uses non-linear regression techniques to fit mathematical functions to densitometry profiles of protein gels. This allows for improved quantification of gels with partially overlapping and potentially asymmetric protein bands. The program can also be used to analyze immunoblots with closely spaced bands. GelBandFitter was developed in Matlab and the source code and/or a Windows executable file can be downloaded at no cost to academic users from http://***.
We describe PRIMROSE, a computer program for identifying 16S rRNa probes and PCR primers for use as phylogenetic and ecological tools in the identification and enumeration of bacteria. PRIMROSE is designed to use data...
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We describe PRIMROSE, a computer program for identifying 16S rRNa probes and PCR primers for use as phylogenetic and ecological tools in the identification and enumeration of bacteria. PRIMROSE is designed to use data from the Ribosomal Database Project (RDP) to find potentially useful oligonucleotides with up to two degenerate positions. The taxonomic range of these, and other existing oligonucleotides, can then be explored, allowing for the rapid identification of suitable oligonucleotides. PRIMROSE includes features to allow user-defined sequence databases to be used. An in silico trial of the program using the RDP database identified oligonucleotides that described their target taxa with a degree of accuracy far greater than that of equivalent currently used oligonucleotides. We identify oligonucleotides for subdivisions of the Proteobacteria and for the Cytophaga-Flexibacter-Bacteroides (CFB) division. These oligonucleotides describe up to 94.7% of their target taxon with fewer than 50 non-target hits, and the authors recommend that they be investigated further. A comparison with PROBE DESIGN within the ARB software package shows that PRIMROSE is capable of identifying oligonucleotides with a higher specificity. PRIMROSE has an intuitive graphical user interface and runs on the Microsoft Windows 95/NT/2000 operating systems. It is open source and is freely available from the authors.
The microcomputer is an invaluable aid in the management of diabetes mellitus because of its ability to manipulate, summarise, and produce graphical displays from blood glucose data in such a way that new trends, or t...
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The microcomputer is an invaluable aid in the management of diabetes mellitus because of its ability to manipulate, summarise, and produce graphical displays from blood glucose data in such a way that new trends, or the effects of changes in therapy, are more readily apparent to the clinician. Currently available software however, while adequate for most purposes, has not been written to cope with the unique problems presented by diabetic pregnancy in which large amounts of data are generated over short periods of time, insulin requirements may change rapidly, and blood glucose control must be extremely tight. We have produced a new program, GLUCOPAGE, specifically for use in the management of diabetic pregnancy. GLUCOPAGE operates in conjunction with the Ames Memory Glucometer, from which it can download data either directly or telemetrically via a modem into the host IBM PC or compatible microcomputer. Large amounts of data can be summarised in various tabular and graphical formats on screen or in printed form. A single A4-size printout, the Glucopage, provides tubular and graphical summaries of a full week''s blood glucose data. Copies of the Glucopage may conveniently be filed in the case notes, given to the patient or distributed to other medical staff.
A computer programme is given using previously described keys. Data of physiological and morphological tests can be entered manually or via a data file whereafter the described programme sorts the data in the hierarch...
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A computer programme is given using previously described keys. Data of physiological and morphological tests can be entered manually or via a data file whereafter the described programme sorts the data in the hierarchical structure of a given key. The identity of the yeast is then given by the programme. Fifty-two yeast strains associated with wine were successfully identified using this programme. In addition to being user friendly and easy to operate, it is possible to run the programme on a personal computer.
Wind Data Tabulator and Sand Rose Plotter (WDTSRP) is an interactive developed computer program accessible for estimating sand transport potential by winds in barren sandy deserts. The Fryberger (1979) formula for det...
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Wind Data Tabulator and Sand Rose Plotter (WDTSRP) is an interactive developed computer program accessible for estimating sand transport potential by winds in barren sandy deserts. The Fryberger (1979) formula for determining sand drift potential (DP) was adopted to create and develop the computer program. WDTSRP is capable of working out weighting factors (WFs), frequency of wind speed occurrence (t), drift potential (DP), resultant drift potential (RDP) and directional variability of winds (DV) and of plotting sand roses. The developed computer program is built up of a simplified system driven by a group of options and dialogue boxes that allow users to input and handle data easily and systematically. Copyright (C) 2006 John Wiley & Sons, Ltd.
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