Pharmix Corporation

Other

Jessen Yu

Guido Lanza

John H Griffin

William J Mydlowec

John R Koza

Martin Anthony Keane

Forrest H Bennett, Iii

Nigel Duffy

The present invention provides compositions of matter, kits and methods for their use in the treatment of MAP kinase-related conditions and/or HMG-CoA reductase-related conditions. In particular, the invention provides compositions for treating inflammatory and/or cardiovascular conditions in an animal subject by inhibiting p38&#x3b1; MAP kinase and/or HMG-CoA reductase, as well as providing formulations and modes of administering such compositions. The invention further provides methods for the rational design of inhibitors of MAP kinase, HMG-CoA reductase, or both for use in the practice of the present invention.

Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase

Embodiments of the invention provide methods for evaluating the accuracy of a molecular model properties model (or predictions generated using a molecular properties model). The accuracy of a molecular properties model may be evaluated using three general approaches, (i) by using the same data set to both train the model and to estimate the accuracy of the model, (ii) by using distinct data sets to train and subsequently test a model, and (iii) by using multiple models (or sets of predictions).

Estimating the accuracy of molecular property models and predictions

A general automated method for synthesizing the design of both the topology and parameter values for controllers is described. The automated method automatically makes decisions concerning the total number of signal processing blocks to be employed in the controller, the type of each signal processing block, the topological interconnections between the signal processing blocks, the values of all parameters for the signal processing blocks, and the existence, if any, of internal feedback between the signal processing blocks within the controller. The general automated method can simultaneously optimize prespecified performance metrics (such as minimizing the time required to bring the plant outputs to the desired values as measured by the integral of the time-weighted absolute error or the integral of the squared error), satisfy time-domain constraints (such as overshoot, disturbance rejection, limits on control variables, and limits on state variables), and satisfy frequency domain constraints (bandwidth).

Method and apparatus for automatic synthesis of controllers

Method and apparatus for designing a synthesis route for a target molecule is provided. The method for designing a synthesis route for a target molecule comprises: generating a plurality of individuals, wherein each individual encodes a synthesis route; decoding each individual to produce a synthesis route comprising at least one reactant molecules and at least one reaction; and determining how well the synthesis route satisfies a design goal. A computer readable medium containing instructions for a computer program executable by the computer to perform a method for designing a synthesis route for a target molecule is also provided. The apparatus comprises a parallel computer system for executing instructions of a computer program to perform a method for designing a synthesis route for a target molecule.

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San Francisco, CA, United States of America

Jessen Yu