Commercial Software

ChemTree accelerates the drug discovery process by building structure activity models on screening data to understand mechanisms of action and drive the sequential screening compound optimization process. Multiple tree univariate and multivariate recursive partitioning techniques are used to “cherry-pick” compounds with optimal potency, ADME/Tox and other drug-like properties. ChemTree can be purchased in 3 different modules all built around an intuitive user interface with strong visualization capabilities. Important recent new features and improvements are:

• The ability for multiple tree weighting of the atoms in a given molecule according to their relative contribution to the activity of the molecule across all descriptors in all trees that involve the given atom. This enables a chemist to see which parts of a molecule may be enhancing activity and which may be inhibiting activity.
• The ability to rotate a molecule in 3D.
• The ability output the model of a tree to C/C++ source code to be used in custom applications.
• The ability to run ChemTree from the command line, enabling batch mode execution of script files, possibly in conjunction with a data analysis pipeline.
• The user manual has been completely revised and rewritten, and is now also available as context-sensitive help within the software.
• Runs up to 3 times faster while building trees on large datasets.

ChemTree offers the following key benefits.

• Reduce clinical failures through better discovery:
• Weed out failures before they enter clinical trials by optimizing for efficacy, safety and ADMET earlier.
• Enable earlier and more cost-effective ADMET optimization through low throughput invitro/insilico screening.
• Reduce attrition rate of compounds in later stages of pipeline by optimizing for efficacy, safety and ADME/Tox at the same time.
• Simultaneously optimize many screening endpoints with multivariate recursive partitioning (RP).

Save time and resources by prioritizing what to screen next:

• Increase hit rates 10-100 fold through intelligent \"Cherry Picking\".
• Generate nanomolar concentration leads with the sequential screening process.
• Maximize hit rates through focused combinatorial synthesis.
• Automate screening analysis tasks to accelerate the drug discovery pipeline.
• Resurrect failed screening attempts.

Uncover QSAR relationships to accelerate lead optimization:

• Give lead optimization chemists a jump start by automatically highlighting the 'business end' of a molecule.
• Capture the most from screening expenditures by learning from both actives and inactives.
• Accelerate the identification of lead series through structure/activity clustering.
• Gain deeper chemical insight by automatic detection of interacting molecular features.
• Derive value from noisy HTS data using ensemble averaging of many RP trees.

Address: 716 S 20th Avenue, Suite 102 Bozeman, MT 59718 USA
Phone Number : 406-585-8137
Fax Number : 406-522-1503
Email: info@goldenhelix.com