Matches in SemOpenAlex for { <https://semopenalex.org/work/W4388049> ?p ?o ?g. }
Showing items 1 to 94 of
94
with 100 items per page.
- W4388049 abstract "This paper reviews our recent studies on the visualization of chemical database and its application in drug design at the molecular and cellular levels. It sketches the background of computer-aided drug design, and gives the mathematical formulations of fundamental database computational problems. Solutions of these problems rely on multivariate nonlinear optimization, combinatorial optimization, numerical linear algebra, and multivariate statistical analysis. This paper presents a fast algorithm for visualizing large chemical databases as a flrst step in solving the chemical database analysis problems. The algorithm is a novel combination of the singular value decomposition and principal component analysis techniques with the truncatedNewton minimization method (TNPACK) based on the classic distance geometry approach. Numerical experiments to real chemical databases show that our visualization algorithm has great potential in aiding the generation of drug candidates or the optimization of bioactive compounds." @default.
- W4388049 created "2016-06-24" @default.
- W4388049 creator A5011582757 @default.
- W4388049 date "2005-01-01" @default.
- W4388049 modified "2023-10-16" @default.
- W4388049 title "Visualization of Large Chemical Databases with Application to Drug Design" @default.
- W4388049 cites W147216341 @default.
- W4388049 cites W1486126925 @default.
- W4388049 cites W1498227543 @default.
- W4388049 cites W1506690472 @default.
- W4388049 cites W1516061977 @default.
- W4388049 cites W1585772109 @default.
- W4388049 cites W1603297215 @default.
- W4388049 cites W1605923270 @default.
- W4388049 cites W1760551737 @default.
- W4388049 cites W1988598882 @default.
- W4388049 cites W1995484623 @default.
- W4388049 cites W2006122215 @default.
- W4388049 cites W2021748110 @default.
- W4388049 cites W2045454144 @default.
- W4388049 cites W2051294235 @default.
- W4388049 cites W2052054742 @default.
- W4388049 cites W2059666235 @default.
- W4388049 cites W2078655374 @default.
- W4388049 cites W2082679543 @default.
- W4388049 cites W2082865891 @default.
- W4388049 cites W2093980458 @default.
- W4388049 cites W2097281366 @default.
- W4388049 cites W2112823640 @default.
- W4388049 cites W2124984228 @default.
- W4388049 cites W2148694408 @default.
- W4388049 cites W2340149117 @default.
- W4388049 cites W2798909945 @default.
- W4388049 hasPublicationYear "2005" @default.
- W4388049 type Work @default.
- W4388049 sameAs 4388049 @default.
- W4388049 citedByCount "0" @default.
- W4388049 crossrefType "journal-article" @default.
- W4388049 hasAuthorship W4388049A5011582757 @default.
- W4388049 hasConcept C11413529 @default.
- W4388049 hasConcept C124101348 @default.
- W4388049 hasConcept C139352143 @default.
- W4388049 hasConcept C147764199 @default.
- W4388049 hasConcept C154945302 @default.
- W4388049 hasConcept C199360897 @default.
- W4388049 hasConcept C22789450 @default.
- W4388049 hasConcept C2524010 @default.
- W4388049 hasConcept C27438332 @default.
- W4388049 hasConcept C33923547 @default.
- W4388049 hasConcept C36464697 @default.
- W4388049 hasConcept C41008148 @default.
- W4388049 hasConcept C77088390 @default.
- W4388049 hasConcept C80444323 @default.
- W4388049 hasConceptScore W4388049C11413529 @default.
- W4388049 hasConceptScore W4388049C124101348 @default.
- W4388049 hasConceptScore W4388049C139352143 @default.
- W4388049 hasConceptScore W4388049C147764199 @default.
- W4388049 hasConceptScore W4388049C154945302 @default.
- W4388049 hasConceptScore W4388049C199360897 @default.
- W4388049 hasConceptScore W4388049C22789450 @default.
- W4388049 hasConceptScore W4388049C2524010 @default.
- W4388049 hasConceptScore W4388049C27438332 @default.
- W4388049 hasConceptScore W4388049C33923547 @default.
- W4388049 hasConceptScore W4388049C36464697 @default.
- W4388049 hasConceptScore W4388049C41008148 @default.
- W4388049 hasConceptScore W4388049C77088390 @default.
- W4388049 hasConceptScore W4388049C80444323 @default.
- W4388049 hasLocation W43880491 @default.
- W4388049 hasOpenAccess W4388049 @default.
- W4388049 hasPrimaryLocation W43880491 @default.
- W4388049 hasRelatedWork W1541618251 @default.
- W4388049 hasRelatedWork W1584216931 @default.
- W4388049 hasRelatedWork W1975622380 @default.
- W4388049 hasRelatedWork W1988260079 @default.
- W4388049 hasRelatedWork W1992963383 @default.
- W4388049 hasRelatedWork W2004660446 @default.
- W4388049 hasRelatedWork W2018448194 @default.
- W4388049 hasRelatedWork W2022885941 @default.
- W4388049 hasRelatedWork W2133184482 @default.
- W4388049 hasRelatedWork W2133960028 @default.
- W4388049 hasRelatedWork W2147318285 @default.
- W4388049 hasRelatedWork W2153575916 @default.
- W4388049 hasRelatedWork W2156013511 @default.
- W4388049 hasRelatedWork W2200501745 @default.
- W4388049 hasRelatedWork W2348565340 @default.
- W4388049 hasRelatedWork W235821689 @default.
- W4388049 hasRelatedWork W3033979839 @default.
- W4388049 hasRelatedWork W3104222435 @default.
- W4388049 hasRelatedWork W3144545573 @default.
- W4388049 hasRelatedWork W3171871601 @default.
- W4388049 isParatext "false" @default.
- W4388049 isRetracted "false" @default.
- W4388049 magId "4388049" @default.
- W4388049 workType "article" @default.