Chem. inf. comput. sci
WebJ. Chem. Inf. Comput. Sci. All Publications/Website. OR SEARCH CITATIONS ... Journal of Chemical Information and Computer Sciences 1999, ... WebChem. Inf. Comput. Sci. 40, 1245-1252 Article September 2000 F L Stahura Jeffrey Godden L Xue Jürgen Bajorath Molecular descriptors were identified by Shannon …
Chem. inf. comput. sci
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WebNov 1, 1997 · J. Chem. Inf. Comput. Sci. Compound selection methods currently available to chemists are based on maximum or minimum dissimilarity selection or on hierarchical clustering. Optimizable K-Dissimilarity Selection (OptiSim) is a novel and efficient stochastic selection algorithm which includes maximum and minimum dissimilarity-based selection … WebMay 27, 1997 · Chemistry, Computer Science J. Chem. Inf. Comput. Sci. A new method is presented for the calculation of partition coefficients of solutes in octanol/water. Our algorithm, XLOGP, is based on the …
WebJ Chem Inf Comput Sci. 2002 Sep-Oct;42(5):1154-63. doi: 10.1021/ci025528x. Authors Ramón Bosque 1 , Joaquim Sales. Affiliation 1 ... of a large set of solvents containing 426 compounds with very different chemical characteristics, an additive model for the estimation of the polarizability is proposed. The derived average atomic polarizability ... WebJ Chem Inf Comput Sci. Nov-Dec 2001;41(6):1623-32. doi: 10.1021/ci010290i. Authors R Liu 1 , H Sun, S S So. Affiliation 1 Discovery Chemistry, Hoffmann-La Roche Inc., 340 Kingsland Street, Nutley, New Jersey 07110, USA. PMID: 11749589 DOI: 10.1021/ci010290i ... Computer Pharmacokinetics* ...
WebNov 1, 1994 · J. Chem. Inf. Comput. Sci. 1994 TLDR This paper reports the details of the directed tweak technique, which is the method of choice from among those investigated, in which the rotatable bonds of the structures are adjusted at search time to produce a conformation which matches the 3D query as closely as possible. 175 WebJ Chem Inf Comput Sci. 2003 Mar-Apr;43(2):391-405. doi: 10.1021/ci025569t. ... We attribute this superiority to the fact that the Similog keys provide a generalization of the chemical elements and that the keys are counted instead of merely noting their presence or absence in a binary form. The second most effective molecular representation are ...
WebDec 17, 2010 · A molecular descriptor “is the final result of a logic and mathematical procedure which transforms chemical information encoded within a symbolic representation of a molecule into an useful number or …
WebThe differences between three different compound classes, natural products, molecules from combinatorial synthesis, and drug molecules, were investigated. The major … bnsf railway employment verification phoneWebJ. Chem. Inf. Comput. Sci. An inorganic crystal structure data base is described which will, when completed in the next year, contain details of all the 23 OOO published structum of inorganic crystals. This pper describes the structure of the data base, the procedures used to check the data as they are entered, and the program used to access them. bnsf railway fort worthWebJournal of Chemical Information and Computer Sciences 1993, 33, 2, 202-210 (Article) Publication Date (Print): March 1, 1993. First Page. PDF. List operations on chemical … click yield vs ctrWebresearch in the department of pathology and an institute scholar at sarafan chem h chang is a member of the center of excellence in genomic science stanford s bio x the stanford … bnsf railway fort worth texasWebJ Chem Inf Comput Sci. 2004 May-Jun;44(3):1000-5. doi: 10.1021/ci034243x. Author John S Delaney 1 Affiliation 1 Syngenta, Jealott's Hill International Research Centre, Bracknell, Berkshire RG42 6EY, United Kingdom. [email protected]; PMID: 15154768 … bnsf railway fort worth officeWebJ. Chem. Inf. Comput. Sci. 1993 TLDR A new method utilizing degree distribution domains and subdomains to generate and enumerate constitutional isomers in the alkane series is reported, which may be accomplished manually or by a computer program specific for a given infant skeleton. Expand 5 bnsf railway ft worthWebSo to add some items inside the hash table, we need to have a hash function using the hash index of the given keys, and this has to be calculated using the hash function as … clicky keyboard software