| What is BuildQSAR | How to cite |
| Features | User's guide |
| Snapshots | Download |
| Team | Make a donation |
| License agreement |
What is BuildQSAR?
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.
Features
Release 2.1:
- Linear, quadratic and bilinear models;
- Principal component analysis (PCA) and principal component regression (PCR);
- Graphics analysis;
- Correlation analysis and hypotheis testing;
- Build subsets of the data set that include groups of compounds chosen by the user;
- Create new variables, derived from the existing ones, and create many types of indicator variables;
- Perform variable selection by systematic search and genetic algorithm;
- Eliminate outliers and analyze the resulting model;
Snapshots
Some snapshots of BuildQSAR follow:
- Main interface of BuildQSAR:
- Easily build subdatasets from the main dataset:
- Scale variables:
- Create new variables by applying math functions over the existing ones:
- Generate indicator variables:
- Plot one variable against another:
- Build the correlation matrix of the variables:
- Performe variable selection by systematic search up to five variables per model:
- Use the genetic algorithm to search for models with variable number limited only by the number of compounds:
- Build linear regression models:
- Build principal component analysis:
- Build principal component regression:
Team
Project manager: Anderson Coser Gaudio
Master degree student: Daniel Barbosa de Oliveira
License agreement
BuildQSAR 2.2 is a FREEware (NOT a public domain software) which means that you can use this software for any purpose, including commercial applications, as long as you need, make as many copies as you want and freely distribute it, provided that all the files are included and are unmodified and that no files have been added to the package. Please distribute it by copying the original compressed setup file BuildQSAR_Setup.zip. It is FORBIDDEN to ask money or anything else for the distribution. Only Dr. Anderson Coser Gaudio may beg for voluntary cash donation that will always be completely independent from the program distribution.
However, you may NOT attempt to reverse compile, modify, translate or disassemble any parts of the software. NOTE: if you have modified one or more components of BuildQSAR, you may NOT distribute it as part of our program any longer. If you want to put this component on a freeware CD-ROM or in other compilation, please contact us before doing so, to be sure that you are not including old, incompatible, or incomplete stuff in the compilation. We would also appreciate it if we could get a free copy of the CD-ROM.
This software is provided "as is". In no event shall we, the authors, be liable for any consequential, special, incidental or indirect damages of any kind arising out of the delivery, performance or use of this software. This software has been written with great care but I do not warrant that the software is error free.
Dr. Anderson Coser Gaudio
Physics Department
Federal University of Espírito Santo
Campus Universitário "Alaor de Queiroz Araújo"
Av. Fernando Ferrari, 514 - Goiabeiras
29075-910 Vitória, ES
Brazil
How to Cite
After using BuildQSAR for any purpose, please cite it as following:
De Oliveira, D.B.; Gaudio, A. C.; BuildQSAR: A New Computer Program for QSAR Analysis. Quant. Struct.-Activ. Relat., 19(6), 599-601, 2001.
User's Guide
The BuildQSAR user's guide is not available at the moment.
Download
Click here to freely download BuildQSAR.
Make a donation
If BuildQSAR was helpful to you, please make a donation of any amount. All the money sent to us will be fully employed in the development of future versions of this software and other freely-distributable applications.