James Rathman

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Several alternative methods to replace animal experiments have been accepted by legal bodies. An even larger number of tests are under development or already in use for non-regulatory applications or for the generation of information stored in proprietary knowledge bases. The next step for the use of the different in vitro methods is their combination into(More)
Precise estimation of state variables and model parameters is essential for efficient process operation, including model predictive control, abnormal situation management , and decision making under uncertainty. Bayesian formulation of the estimation problem suggests a general solution for all types of systems. Even though the theory of Bayesian estimation(More)
Chemotypes are a new approach for representing molecules, chemical substructures and patterns, reaction rules, and reactions. Chemotypes are capable of integrating types of information beyond what is possible using current representation methods (e.g., SMARTS patterns) or reaction transformations (e.g., SMIRKS, reaction SMILES). Chemotypes are expressed in(More)
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