Obtaining the Software

The FORECASTER and VIRTUAL CHEMIST Suites

The FORECASTER Suite (formerly known as the FITTED Suite) and the VIRTUAL CHEMIST Suite are distributed free to non-commercial organizations in return of bugs reporting and testing/validating studies.

In order to obtain any of these programs, we need to receive the license agreement and the information form duly signed and complete. After we receive the signed license agreement, you will be granted the permissions to the privileged download section.

academic license agreement.

When reporting results with our programs, please cite the related publications as described below

The FORECASTER Web Platform

For more information about licensing options, research contracts or to obtain an evaluation version of the FORECASTER Web Platform, please contact us.

You can test the webserver version from the demo page here.

Currently the platform is being moved to a new server and no novel access can be provided. Come back in the next few weeks for updates.

The H-TEQ Program

The H-TEQ program is freely available here. By downloading and using this program, you agree with the terms and conditions described here.

Documentation

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References

When reporting results with our programs, please cite the following publications

  • FITTED:
    • Moitessier N., Pottel J., Therrien E., Englebienne P., Liu Z., Tomberg A., Corbeil C.R. Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods Acc. Chem. Res. (2016), 49 (9), 1646-1657 link

    • Corbeil C.R., Englebienne P., Moitessier N. Docking ligands into flexible and solvated macromolecules. 1. Development and validation of FITTED 1.0 J. Chem. Inf. Model. (2007), 47, 2, 435-449 link

    • Corbeil C.R., Moitessier N. Docking ligands into flexible and solvated macromolecules. 3. Impact of input ligand conformation, protein flexibility, and water molecules on the accuracy of docking programs J. Chem. Inf. Model. (2009), 49, 4, 997-1009 link

  • IMPACTS:
    • Campagna-Slater V., Pottel J., Therrien E., Cantin L.-D., Moitessier N. Development of a computational tool to rival experts in the prediction of sites of metabolism of xenobiotics by P450s J. Chem. Inf. Model. (2012), 52, 9, 2471-2483 link

  • FORECASTER and other tools (SELECT, REDUCE,...):
    • Therrien E., Englebienne P., Arrowsmith A.G., Mendoza-Sanchez R., Corbeil C.R., Weill N., Campagna-Slater V., Moitessier N. Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with FORECASTER, a novel platform for drug discovery J. Chem. Inf. Model. (2012), 52, 1, 210-224 link

  • FIndERS and REACT2D:
    • Pottel J., Moitessier N. Customizable Generation of Synthetically Accessible, Local Chemical Subspaces J. Chem. Inf. Model. (2017), 2017, 57, 454-467. link

  • ACE:
    • Corbeil C.R., Thielges S., Schwartzentruber J.A., Moitessier N. Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: Development and application of a rapid and accurate program based on organic principles Angew. Chem. Int. Ed. (2008), 47, 14, 2635-2638 link

  • MUTATE:
    • Pottel J., Moitessier N. Single-Point Mutation with a Rotamer Library Toolkit: Toward Protein Engineering J. Chem. Inf. Model. (2015), 55, 12, 2657-2671 link


  • H-TEQ:
    • Liu Z., Barigye S. J., Shahamat M., Labute P., Moitessier N. Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules J. Chem. Inf. Model. (2018), ASAP link


System Requirements

Minimum requirements:

  • Windows 7/8/10
  • 2 GB of RAM (4GB or more recommended)
  • Java 1.6 or higher for gui
  • Linux (32-bit and 64-bit architecture) and higher versions
  • 2 GB of RAM (4GB or more recommended)
  • Java 1.6 (latest version) for gui
  • Leopard 10.6 (64-bit architecture only) and higher versions
  • 2 GB of RAM (4 GB or more recommended)
  • Java 1.6 (latest version) for gui
  • Xterm needs to be installed (XQuartz project)

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