Patent
Text influenced molecular indexing system and computer-implemented and/or computer-assisted method for same
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TLDR
In this article, an extension of the vector space model for computing chemical similarity using textual and chemical descriptors is described, which uses a chemical and/or textual description of a molecule/chemical and a decomposes a molecular/chemical descriptor matrix by a suitable technique such as singular value decomposition to create a low dimensional representation of the original descriptor space.Abstract:
An extension of the vector space model for computing chemical similarity using textual and chemical descriptors is described. The method uses a chemical and/or textual description of a molecule/chemical and a decomposes a molecule/chemical descriptor matrix by a suitable technique such as singular value decomposition to create a low dimensional representation of the original descriptor space. Similarities between a user probe and the textual and/or chemical descriptors are then computed and ranked.read more
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References
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Patent
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Fred E. Cohen,Thomas R. Defay +1 more
TL;DR: In this article, a method for predicting the protein fold of a target amino acid residue sequence of unknown protein structure is presented, where a target sequence is represented by a sequence of residue variability types that utilizes positional variability information present in an associated family of homologous sequences to the target sequence.
Journal ArticleDOI
An efficient projection protocol for chemical databases: singular value decomposition combined with truncated-newton minimization.
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Patent
Data base retrieval system
TL;DR: In this paper, a data base retrieval system is provided with a storage means 40 in which auto-correlation information for every article of retrieved objects 10 is stored and a retrieving means S4 which finds the degree of coincidence between the auto correlation information of a retrieving key 50 and the above-mentioned auto-relation information of the retrieved object 10 for each article.
Patent
Biochemical information processing apparatus, biochemical information processing method, and biochemical information recording medium
Atsushi Tomonaga,Fumio Tamura +1 more
TL;DR: A biochemical information processing apparatus comprises storage means storing biochemical information, input means for accepting input of data, reaction scheme detection means for detecting a chemical reaction scheme involving a compound, based on the data, and display means for indicating a reaction scheme diagram of the chemical reaction schemes as mentioned in this paper.
Patent
Chemical structure similarity ranking system and computer-implemented method for same
Richard D. Hull,Eugene M. Fluder,Suresh B. Singh,Robert P. Sheridan,Robert B. Nachbar,Simon K. Kearsley +5 more
TL;DR: In this article, an extension of the vector space model for computing chemical similarity is described, which calculates similarity between molecules and molecular descriptors using the singular value composition (SVD) of a molecule/descriptor matrix and, for example, an identity matrix to create a low dimensional representation of the original descriptor space.