Patent
Method, system, and computer program for displaying chemical data
Dimitris K. Agrafiotis,Victor S. Lobanov,Francis R. Salemme +2 more
- 12 Mar 2001
30
TL;DR: In this article, a system, method, and computer program product for visualizing and interactively analyzing data relating to chemical compounds is presented, where a user selects a plurality of compounds to map, and also selects a method for evaluating similarity/dissimilarity between the selected compounds.
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Abstract: A system, method, and computer program product for visualizing and interactively analyzing data relating to chemical compounds. A user selects a plurality of compounds to map, and also selects a method for evaluating similarity/dissimilarity between the selected compounds. A non-linear map is generated in accordance with the selected compounds and the selected method. The non-linear map has a point for each of the selected compounds, wherein a distance between any two points is representative of similarity/dissimilarity between the corresponding compounds. A portion of the non-linear map is then displayed. Users are enabled to interactively analyze compounds represented in the non-linear map.
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Citations
Patent
Laboratory database system and methods for combinatorial materials research
Jr. David R. Dorsett
- 07 Jan 2002
TL;DR: In this article, the authors describe a data model and corresponding data structures for describing combinatorial experiments with a plurality of properties derived from a chemical experiment, including a library of materials.
130
Patent
Automated molecular mining and activity prediction using xml schema, xml queries, rule inference and rule engines
Rajeev Gangal
- 13 Aug 2008
TL;DR: In this article, a method and system for analyzing relationship between molecular structure and biological activity in one or more molecules by transforming molecular structure data into a hierarchical representation of chemical concepts and descriptors and detecting common tree-like patterns in the data.
53
Patent
Methods and apparatus for designing high-dimensional combinatorial experiments
Youqi Wang,Marco Falcioni,Stephen J. Turner,Eric C. Ramberg +3 more
- 17 Dec 2001
TL;DR: In this paper, a plurality of experimental configurations are generated based on a set of parameters describing factors to be varied in the experiments and constraints representing limitations on operations that can be performed with the set of resources.
50
Patent
Methods and apparatus for visual application design
John Bernard Olson,Thomas Wilhelm,Michael San Leandro Travers +2 more
- 03 Jun 2005
TL;DR: A preferred language as mentioned in this paper is a visual language configured to utilize the infrastructure of a mainstream platform and take advantage of effects associated with a large network of users and component providers, which is based on Microsoft's.NET platform.
49
Patent
Systems, Methods and Computer Program Products for Determining Parameters for Chemical Synthesis
Smith Robin Y,William Brian Ballard,David Albert Coleman +2 more
- 24 Mar 2003
TL;DR: In this paper, a database is populated with target chemicals, corresponding listings of reagent chemicals and corresponding equipment and corresponding procedures, and the database is then searched in response to user identification of a target chemical.
43
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