ISIS databases descriptors

Private (EPA) Databases. The U.S. EPA maintains a Hst of approximately 600 current information systems, as weU as some of the models and databases used within the organi2ation. The Hst is pubHshed in Information Systems Inventoy (ISI) which is updated yearly and maintained by the Information Management and Services Division of the Office of Information Resources Management (109). ISI Hsts the system name and acronym, system level, responsible organi2ation, contact person, legislative authorities, database descriptors, access information, hardware and software, system abstract, and keywords. 

These structural key descriptors incorporate a remarkable amount of pertinent molecular arrangements covering each type of interaction involved in ligand-receptor bindings [26]. Since every structure in a database is represented by one or more of the 960 key codes available in ISIS, suppose that two molecules include respectively A and B key codes, then the Tanimoto coefficient is given by ... 

Several types of artificial neural networks have been used as pattern recognition engines. In general, neural networks are mathematical models that emulate some of the observed properties of biological nervous systems, in particular the ability to learn complex relationships. Examples of drug-like molecules were taken from the WDI, CMC or MDDR databases, while compounds from the ACD database exemplified nondrugs. Molecules were represented by a large number of descriptors, such as ISIS... 

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