SYBYL-X 2.1.1 WIN/MAC/GNU x64 | 2.17 GB
SYBYL-X Suite is an environment for the development of drugs and molecules with extensive modeling capabilities, including modeling of both small molecules and macromolecules, cheminformatics, identification and optimization.Year / Release Date: 2013
Developer: Certara, L.P.
Bit depth: 64bit
System requirements: Microsoft Windows, Mac OS X, GNU / Linux
SYBYL-X 2.1.1 is now available for all customers with current support
New functionality in this release includes augmented capabilities available
via the standalone PYTHON interface to 3D-QSAR, which was introduced in
SYBYL-X 2.1 earlier this year. The PYTHON API allows 3D-QSAR models (CoMFA,
CoMSIA, and Topomer CoMFA) to be created and used for predictions outside of
SYBYL-X, allowing you to create new QSAR workflows and incorporate 3D-QSAR
into your corporate workflows, and easily integrate 3D QSAR predictions into
your informatics desktops.
New in SYBYL-X 2.1.1:
1. Hologram QSAR (HQSAR) is a now available via Python. HQSAR has been
successfully applied to generate predictive global QSAR models for on- and
off-target effects and models for important ADME related properties; the
HQSAR method employs 2D-substructural counts as descriptors.
2. Similarity computations and similiarity searches (UNITY 2D fingerprints)
are now accessible via Python to support various workflows, such as lead
expansion, lead hopping, and cluster analysis.
Additionally, this release addresses a number of customer reported issues.
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