Enumerating tree-like chemical graphs with given upper and lower bounds on path frequencies

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Improved algorithms for enumerating tree-like chemical graphs with given path frequency.

This paper considers the problem of enumerating all non-isomorphic tree-like chemical graphs with given path frequency, where "tree-like" means that the graph can be viewed as a tree if multiple edges (i.e., edges with the same end points) and a benzene ring are treated as one edge and one vertex, respectively, and "path frequency" is a vector of the numbers of specified vertex-labeled paths th...

متن کامل

Efficient enumeration of monocyclic chemical graphs with given path frequencies

BACKGROUND The enumeration of chemical graphs (molecular graphs) satisfying given constraints is one of the fundamental problems in chemoinformatics and bioinformatics because it leads to a variety of useful applications including structure determination and development of novel chemical compounds. RESULTS We consider the problem of enumerating chemical graphs with monocyclic structure (a gra...

متن کامل

Upper and Lower Bounds for Tree-Like Cutting Planes Proofs

In this paper we study the complexity of Cutting Planes (CP) refutations, and tree-like CP refutations. Tree-like CP proofs are natural and still quite powerful. In particular, the propositional pigeonhole principle (PHP) has been shown to have polynomial-sized tree-like CP proofs. Our main result shows that a family of tautologies, introduced in this paper requires exponential-sized tree-like ...

متن کامل

On the lower and upper bounds for general Randić index of chemical (n,m)-graphs

A chemical (n,m)-graph is a connected graph of order n, size m and maximum degree at most 4. The general Randić index of a graph is defined as the sum of the weights [d(u)d(v)]α of all edges uv of the graph, where α is any real number and d(u) is the degree of a vertex u. In this paper, we give the lower and upper bounds for general Randić index of chemical (n,m)-graphs. A graph of order n and ...

متن کامل

Upper and lower bounds of symmetric division deg index

Symmetric Division Deg index is one of the 148 discrete Adriatic indices that showed good predictive properties on the testing sets provided by International Academy of Mathematical Chemistry. Symmetric Division Deg index is defined by $$ SDD(G) = sumE left( frac{min{d_u,d_v}}{max{d_u,d_v}} + frac{max{d_u,d_v}}{min{d_u,d_v}} right), $$ where $d_i$ is the degree of vertex $i$ in graph $G$. In th...

متن کامل

ذخیره 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: BMC Bioinformatics

سال: 2011

ISSN: 1471-2105

DOI: 10.1186/1471-2105-12-s14-s3