XtaLAB Synergy-ED: over 160 structures and counting
نویسندگان
چکیده
منابع مشابه
Counting and Locality over Finite Structures: A Survey
We survey recent results on logics with counting and their local properties. We rst consider game-theoretic characterizations of rst-order logic and its counting extensions provided by unary generalized quantiiers. We then study Gaifman's and Hanf's locality theorems, their connection with game characterizations, and examples of their usage in proving expressivity bounds for rst-order logic and...
متن کاملCounting Disconnected Structures
When counting isomers with a given number of atoms one usually assumes that we want to count (connected) molecules. In this note we present a method that can be used for counting disconnected structures if counts of connected structures are given. The method can be used also in the reverse direction. If the numbers of all structures are known, the number of connected structures can be readily d...
متن کاملCounting RNA Pseudoknotted Structures
In 2004, Condon and coauthors gave a hierarchical classification of exact RNA structure prediction algorithms according to the generality of structure classes that they handle. We complete this classification by adding two recent prediction algorithms. More importantly, we precisely quantify the hierarchy by giving closed or asymptotic formulas for the theoretical number of structures of given ...
متن کاملCounting Markov Blanket Structures
Learning Markov blanket (MB) structures has proven useful in performing feature selection, learning Bayesian networks (BNs), and discovering causal relationships. We present a formula for efficiently determining the number of MB structures given a target variable and a set of other variables. As expected, the number of MB structures grows exponentially. However, we show quantitatively that ther...
متن کاملApproximately Counting Locally-Optimal Structures
In general, constructing a locally-optimal structure is a little harder than constructing an arbitrary structure, but significantly easier than constructing a globally-optimal structure. A similar situation arises in listing. In counting, most problems are #P-complete, but in approximate counting we observe an interesting reversal of the pattern. Assuming that #BIS is not equivalent to #SAT und...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica
سال: 2022
ISSN: ['2053-2733']
DOI: https://doi.org/10.1107/s2053273322099594