Chem inf comput sci
WebPolarizabilities of solvents from the chemical composition J Chem Inf Comput Sci. 2002 Sep-Oct;42 (5):1154-63. doi: 10.1021/ci025528x. Authors Ramón Bosque 1 , Joaquim Sales Affiliation 1 Departament de Química Inorgànica, Universitat de Barcelona, Martí i Franquès, 1, 08028-Barcelona, Spain. PMID: 12377003 DOI: 10.1021/ci025528x WebOct 22, 1998 · J. Chem. Inf. Comput. Sci. A general QSPR model (R2 = 0.940, s = 0.018) was developed for the prediction of the refractive index for a diverse set of amorphous homopolymers with the CODESSA program. The five descriptors, involved in the model, are calculated from the structure of the repeating unit of the polymer.
Chem inf comput sci
Did you know?
WebUsing the SLOGP atom typing system, the occurrence of many atom types is very low, for example, the occurrence of atom types 8, 69, 78, or 79 is only two times and that of atom … WebFeb 1, 1991 · J. Chem. Inf. Comput. Sci. The electrotopological state, a novel representation of atoms in molecules, is developed from chemical graph theory as an index of the graph vertex (or skeletal group). This new index combines both the electronic character and the topological environment of each skeletal atom in a molecule.
WebMolecular complexity and its impact on the probability of finding leads for drug discovery J Chem Inf Comput Sci. 2001 May-Jun;41(3):856-64.doi: 10.1021/ci000403i. Authors M M Hann 1 , A R Leach, G Harper Affiliation WebESOL: estimating aqueous solubility directly from molecular structure J 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 DOI: …
WebIntroduction to methodology and encoding rules Journal of Chemical Information and Modeling RETURN TO ISSUE PREV Article NEXT SMILES, a chemical language and … http://modem.ucsd.edu/htjcadd/publications/paper/85.pdf
WebComputational chemistry software for undergraduate teaching and research. All without the hassle of compiling, installing, and maintaining software and hardware. Login or register …
WebThe ISO4 abbreviation of Journal of Information and Computational Science is J. Inf. Comput. Sci. . It is the standardised abbreviation to be used for abstracting, indexing and referencing purposes and meets all criteria of the ISO 4 standard for abbreviating names of scientific journals. luthiers\u0027 corner londonWebJul 1, 1992 · J. Chem. Inf. Comput. Sci. Schultz' has recently introduced an index for characterization of alkanes by an integer, which he named the molecular topological index (MTI). Since this is not a particularly distinctive label, the MTI was also called the Schultz index2 after its originator. jd sports salisburyWebMar 1, 2002 · The three basic entities are: compound (a generalization of the chemical structure, which generally corresponds to the synthetic chemist's view that was discussed above); form (the compound plus... jd sports sawgrassluthiers violinWebApr 9, 1999 · J. Chem. Inf. Comput. Sci. 2001 TLDR A new set of topological indices is introduced representing a partitioning of the Wiener index based on counts of even and odd molecular graph distances, which can be optimized during the quantitative structure-activity/-property relationship (QSAR/QSPR) modeling process. 62 PDF jd sports sandals for womenWebProperty distributions: differences between drugs, natural products, and molecules from combinatorial chemistry J Chem Inf Comput Sci. 2003 Jan-Feb;43(1):218-27. doi: 10.1021/ci0200467. Authors Miklos Feher 1 , Jonathan M Schmidt. Affiliation 1 SignalGene Inc., 335 Laird Road, Unit ... luthiers\\u0027 corner londonWebJournal of Chemical Information and Modeling has been certified as a transformative journal by cOAlition S, committing to a transition to 100% open access in the future. If your … Pair your accounts. Export articles to Mendeley. Get article recommendations … Journal Scope. The Journal of Chemical Information and Modeling (JCIM) … Articles ASAP (as soon as publishable) are posted online and available to view … J. Chem. Inf. Model. All Publications/Website. OR SEARCH … jd sports scam