A novel approach has been developed to get an idea for the resemblance of a set of molecules. Property vectors are defined in m-dimensional linear Euclidean space and their resemblance in 3-dimensional space has been considered
In the last few years, a need to account for molecular flexibility in drug-design methodologies has ...
Abstract—Many areas of chemical biology, such as drug dis-covery, rely heavily on chemical libraries...
Macromolecules such as proteins and DNA have complex spatial structures which are often important fo...
A mathematical model on computation of molecular similarity was suggested, The algorithmic technique...
The principle that molecules with similar shapes are likely to share similar biological activity has...
This paper discusses algorithmic techniques for measuring the degree of similarity between pairs of ...
Since the emergence of combinatorial chemistry and chemical libraries, great attention is being paid...
International audienceQuantitative Structure Activity and Property Relationships (QSAR and QSPR), ai...
Molecular similarity is an impressively broad topic with many implications in several areas of chemi...
Molecules are often characterized by sparse binary fingerprints, where 1s represent the presence of ...
Chemists, like artists, are able to construct new three-dimensional objects, molecules and materials...
Similarity is an important concept for the comparison of molecular structures. There are a number of...
Molecular modeling for drug discovery includes analyses of three-dimensional structures of molecules...
Minkowski metric vector semispaces can be chosen as the natural mathematical framework, where quantu...
In order to predict the most probable space group where a molecule crystallizes, it is assumed that ...
In the last few years, a need to account for molecular flexibility in drug-design methodologies has ...
Abstract—Many areas of chemical biology, such as drug dis-covery, rely heavily on chemical libraries...
Macromolecules such as proteins and DNA have complex spatial structures which are often important fo...
A mathematical model on computation of molecular similarity was suggested, The algorithmic technique...
The principle that molecules with similar shapes are likely to share similar biological activity has...
This paper discusses algorithmic techniques for measuring the degree of similarity between pairs of ...
Since the emergence of combinatorial chemistry and chemical libraries, great attention is being paid...
International audienceQuantitative Structure Activity and Property Relationships (QSAR and QSPR), ai...
Molecular similarity is an impressively broad topic with many implications in several areas of chemi...
Molecules are often characterized by sparse binary fingerprints, where 1s represent the presence of ...
Chemists, like artists, are able to construct new three-dimensional objects, molecules and materials...
Similarity is an important concept for the comparison of molecular structures. There are a number of...
Molecular modeling for drug discovery includes analyses of three-dimensional structures of molecules...
Minkowski metric vector semispaces can be chosen as the natural mathematical framework, where quantu...
In order to predict the most probable space group where a molecule crystallizes, it is assumed that ...
In the last few years, a need to account for molecular flexibility in drug-design methodologies has ...
Abstract—Many areas of chemical biology, such as drug dis-covery, rely heavily on chemical libraries...
Macromolecules such as proteins and DNA have complex spatial structures which are often important fo...
DOI