摘要:
A field-based similarity search system includes an input device which inputs a query molecule, and a processor which partitions a conformational space of the query molecule into a fragment graph including an acyclic graph including plural fragment nodes connected by rotatable bond edges, computes a property field on fragment pairs of fragments of the query molecule from the fragment graph, the property field including a local approximation of a property field of the query molecule, constructs a set of features of the fragment pairs based on the property field, the features including a set of local, rotationally invariant, and moment-based descriptors generated from all conformations of the fragment graph of the query molecule, and weights the descriptors according to importance as perceived from a training set of descriptors to generate a context-adapted descriptor-to-key mapping which maps the set of descriptors to a set of feature keys.
摘要:
A similarity search method includes generating a feature database which stores data pertaining to a candidate molecule, as executed by a processor of a computer, the database including a hash table having entries which are generated based on, a set of descriptors generated from conformations of fragment graphs of the candidate molecule, the fragment graphs including plural fragment nodes connected by rotatable bond edges, a specific conformation of the fragment node including a fragment of the candidate molecule, and two neighboring fragments connected by a rotatable bond at a specific dihedral angle including a fragment pair, and a context-adapted descriptor-to-key mapping which maps the set of descriptors to a set of feature keys including indices that label grid cells in discriminant space.
摘要:
A field-based similarity search system includes an input device which inputs a query molecule, and a processor which partitions a conformational space of the query molecule into a fragment graph including an acyclic graph including plural fragment nodes connected by rotatable bond edges, computes a property field on fragment pairs of fragments of the query molecule from the fragment graph, the property field including a local approximation of a property field of the query molecule, constructs a set of features of the fragment pairs based on the property field, the features including a set of local, rotationally invariant, and moment-based descriptors generated from all conformations of the fragment graph of the query molecule, and weights the descriptors according to importance as perceived from a training set of descriptors to generate a context-adapted descriptor-to-key mapping which maps the set of descriptors to a set of feature keys.
摘要:
A similarity search method includes generating a feature database which stores data pertaining to a candidate molecule, as executed by a processor of a computer, the database including a hash table having entries which are generated based on, a set of descriptors generated from conformations of fragment graphs of the candidate molecule, the fragment graphs including plural fragment nodes connected by rotatable bond edges, a specific conformation of the fragment node including a fragment of the candidate molecule, and two neighboring fragments connected by a rotatable bond at a specific dihedral angle including a fragment pair, and a context-adapted descriptor-to-key mapping which maps the set of descriptors to a set of feature keys including indices that label grid cells in discriminant space.
摘要:
A field-based similarity search system and method includes a database for storing at least one candidate molecule, an input device for inputting a query molecule, and a processor for identifying a candidate molecule which is similar to the query molecule based on a similarity of fragment pair features.
摘要:
A field-based similarity search system and method includes a database for storing at least one candidate molecule, an input device for inputting a query molecule, and a processor for identifying a candidate molecule which is similar to the query molecule based on a similarity of fragment pair features.
摘要:
The present invention concerns a method and a machine to group and join at last two articles by attaching a first packaging to form a packaging unit. The individual packaging units are joined together with an additional second packaging to form a bigger unit. The process is carried out continuously, whereby the packaging units are transposed or not.
摘要:
The invention provides an apparatus and a method for economically forming packing unit layers. The apparatus comprises at least one supply conveyor, at least one further conveyor and an exit conveyor. Furthermore, at least one gripper for positioning and/or turning the packing units is associated with the further conveyor. The positioned and/or turned packing units are brought together to form form-fitting packing unit layers by a suitable device on the at least one exit conveyor. The at least one gripper is configured in such a way that is can be used to position and/or turn at least one packing unit and that at least one further packing unit can be placed on the positioned and/or turned packing unit in the same orientation.
摘要:
A method, apparatus and system are for operating an automatic component mounting unit for mounting an electrical component onto a substrate of an electrical assembly. The automatic component mounting unit utilizes a number of different mounting members, such as a head, feeding and sensor members, for mounting a variety of different components. Each of the mounting members includes a data storage device. The automatic component mounting unit also includes a control device for communicating with a data storage device of each of the mounting members for processing an amount of process data that is specific to each of the mounting members and that is generated prior to installation. As a result, the mounting members are readily configured for optimal use upon installation of the mounting members.
摘要:
The present invention relates to a system and method for securing wiring to a device housing. The device housing is provided with a base capable of securing different types of wiring. A reversible clamp strap is provided that may be used to further provide for the securing of different types of conductors into the device housing.