Computer-automated structure evaluation program

Klopman, G. MULTICASE 1. A hierarchical computer automated structure evaluation program. Quant Struct-Act Relat. 1992, 11,176-184. 

Klopman, G. (1985). Predicting toxicity through a computer automated structure evaluation program. Environ. Health Perspect. 61 269-274. 

Klopman, G., MULTICASE 1. A Hierarchical Computer Automated Structure Evaluation Program. Quant. Struct.-Act. Relat., 1992 11, 176-184. 

G. Klopman, Environ. Health Perspect., 61, 269 (1984). Predicting Toxicity through a Computer Automated Structure Evaluation Program. 

G. Klopman and O. T. Macina, J. Theor. Biol., 113, 637 (1985). Use of the Computer Automated Structure Evaluation Program in Determining Quantitative Structure-Activity Relationships within Hallucinogenic Phenylalkylamines. 

Klopman G, Saiakhov R, Rosenkranz HS, Hermens JLM. Multiple computer-automated structure evaluation program study of aquatic toxicity 1. Guppy. Environ Toxicol Chem 1999 18 2497-505. 

Klopman, G., D.M. Balthasar, and H.S. Rosenkranz. 1993. Application of the computer automated structure evaluation (CASE) program to the study of structure biodegradation relationships of miscellaneous chemicals. Environ. Toxicol. Chem. 12 231-240. 

A modified version of the Computer Automated Structure Evaluation (CASE) program has been successfully applied to the study of the neurotoxic and cytotoxic activity of the snake venom toxins. The program identified the sites that seem to be the most relevant to the activity of these two classes of peptides. The knowledge of the three dimensional structure of these peptides together with the relevant fragments selected by the CASE program helped to clarify the differences between the activity of each type of toxin. 

The use of computer-automated structure evaluation (CASE) program that selects relevant descriptors for structure-activity relationships has been used to analyze the binding of various PAHs to AhR. The binding activity was determined by an electro-focusing assay. The fragment from PAHs that were important for AhR binding was... 

To our knowledge, up to this date, five expert systems have been developed that claim capabilities in the field of biodegradation of molecules of diverse structures. They are BIODEG Probability Program (BPP), BESS (Biodegradability Evaluation and Simulation System), MultiCASE (Multiple Computer Automated Structure Evaluation, and META (MULTICASE Inc., P.O. Box 22157, Cleveland, OH44122, USA) and the last one, developed by Gamberger et al. ... 

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