Rule description language

RI is a program that supports the development and execution of rule scripts, written in rule description language (RDL) [25]. RDL combines substructure search with descriptor-oriented selection, incorporates Boolean logic, and allows the generation of a tree-like decision structure. RI was written in Delphi code under MS Windows and derived from the OASIS SAR system [26,27]. 

Rule Description Language (RDL) is a language developed for the Rule Interpreter (RI) software that combines substructure search with descriptor-oriented selection. 

Rule Interpreter (RI) is a program that supports the development and execution of rule scripts, written in the rule description language (RDL). 

This rule-based system allows expressing the membership criteria for each protein family in a formal language. Furthermore, subfamilies have been introduced to meet the SWISS-PROT standard more closely. For example, the ribosomal protein LI family contains eukaryotes as well as prokaryotes. But the annotation added to TrEMBL entries of this family obviously depends on the taxonomic kingdom. The description reads "50S RIBOSOMAL PROTEIN Ll" for prokaryotes, archaebacteria, chloroplasts, and cyanelles, and "60S ribosomal protein lioa" for nuclear encoded proteins of eukaryotes. 

These principles are phrased in the language of the ionic model, but they provide a simpler and more explicit description of stable structures than that given by the ionic model s energy minimization principle. Among the important ideas captured by Pauling s rules are those of local charge neutrality, the definition of electrostatic bond strength, and the rule of parsimony which is closely... 

Daylight has extended SMILES rules to accommodate general descriptions of molecular patterns and chemical reactions (13). These SMILES extensions are called SMARTS and SMIRKS. SMARTS is a language for describing molecular patterns while SMIRKS defines rules for chemical reaction transformations. 

Computer-Aided Property Estimation Computer-aided structure estimation requires the structure of the chemical compounds to be encoded in a computer-readable language. Computers most efficiently process linear strings of data, and hence linear notation systems were developed for chemical structure representation. Several such systems have been described in the literature. SMILES, the Simplified Molecular Input Line Entry System, by Weininger and collaborators [2-4], has found wide acceptance and is being used in the Toolkit. Here, only a brief summary of SMILES rules is given. A more detailed description, together with a tutorial and examples, is given in Appendix A. 

Many elements of a controlled vocabulary are effectively defined by software implementation. Thus, the description of the HTML language requires certain elements to have specified behavior. For example, supports the display of raster images, but the precise look may vary between implementations and file types. Implementation through software is useful and powerful where authors, publishers, readers, and processors all use the same system. Because STM publishing is increasingly multidisciplinary, this implementation becomes problematic. Often a reader may have to download specialist software that is idiosyncratic and that may not have enough functionality, especially the export of semantically rich data. Moreover, the semantic rules are often buried deep in the software and difficult to understand precisely. 

Georgii Boreskov, an eminent Soviet scientist in catalysis, devoted his research to the creation of an adequate physicochemical language for describing the phenomenon of heterogeneous catalysis, and he considered thermodynamics the fundamentals for the description. His analysis of the thermodynamic bases of catalytic processes produced the commonly accepted and experimentally proved Boreskov s rule on the approximate constancy of the specific catalytic activity ... 

For each library a syntax description of the data must be supplied. This syntax description must describe the data in the database and takes the form of a set of rules, also called a grammar. This list of rules is written in the SRS programming language ICARUS. The rules in this case provide the syntax part of the ICARUS language (the other part being Meta Definition) and are called productions. Productions are used to extract pieces of text from a database entry, tokens which are written to token tables. It is the data which is in these token tables that is indexed and used when querying the database, or extracting parts of the database for display. 

Trial wavefunctions are usually constructed by linear combination of Gaussian error functions that are convenient to integrate. The results can be of predictive value and such calculations have become everyday tools for chemists in all branches of chemistry, to guide experiments and not least to rule out untenable hypotheses. This is a remarkable achievement that seemed to be out of reach a few decades ago. Still, simple qualitative models that are amenable to perturbation theory are required to understand and predict trends in a series of related compounds. Our goal here is to describe the minimal quantum mechanical models that can still provide a useful qualitative description of electronically excited states, their electronic stmcture and their reactivity. Such models also provide a language to convey the results of state-of-the-art, but essentially black-box ab initio calculations. 

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