Profile: Mouse / Rat oral LD50 Computation Program
Purpose: Stand-alone neural network-based program to compute the oral LD50 of organic chemicals for mouse and rat
Computation Input: A chemical's SMILES string.
Computation Algorithm: Proprietary probabilistic neural network algorithm.
Computation Speed: Results are available within seconds.
Computation Output: The computed toxicity result in mg/(kg body weight) and in pT (log[(kg body weight)/mmol]), and the molecular weight of the compound.
Manual / Help System: Built-in; download here (TerraQSAR-OMAR.pdf).
Distribution Medium: CD-ROM.
Operating System: Windows 98, Windows NT4, Windows ME; Windows XP, Windows Vista, Windows 7.
Hardware Requirements: Pentium III, 2 GHz (higher recommended), 32MG RAM, 30MG HDD, mouse (or equivalent), CD-ROM, monitor with 800 x 600 or higher resolution using 256+ colors.
Price: See: Pricing.
Availability: Release: June 25, 2006.
Limited time offer for free predictions: Send structures by EMAIL as SMILES strings (must be in Accelrys notation) or by FAX as drawings.


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