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دكتور رابد
تاريخ التسجيل: Nov 2016
المشاركات: 3,481
معدل تقييم المستوى: 11 ![]() |
![]() ![]() Sybyl-X v2.1.1 (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 Version: 2.1.1 Developer: Certara, L.P. Bit depth: 64bit Language: English Tabletka: present System requirements: Microsoft Windows, Mac OS X, GNU / Linux What News? SYBYL-X 2.1.1 is now available for all customers with current support contracts. 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. If youre a SYBYL-X customer and didnt get the announcement in your inbox last week, send a note to tripos.support[-]certara.com and we'll provide additional information. Best regards, Diana O'Rourke Marketing Director Certara All Link Download : كود:
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