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ChemX

California), Sibyl (Tripos, Missouri), ChemX (Chemical Design, UK), BioGraf (Molecular Simulations, California), Charmm/Quanta (Polygen Corp., Massachusetts), PC Model (Serena Software, Indiana), ChemLab (ChemLab Inc., Illinois), and a large number of personal computer-based packages. [Pg.92]

Figure 2. The four starting models used for the study of cellobiose (lone pairs of electrons are not shown). Convention defines the R and C notation when the residue is in a conventional orientation and is viewed from above. The least energetic structure observed in this study is gtgtRR. This Figure and Figure 5 were drawn with CHEMX, developed and distributed by Chemical Design Ltd, Oxford, England. Figure 2. The four starting models used for the study of cellobiose (lone pairs of electrons are not shown). Convention defines the R and C notation when the residue is in a conventional orientation and is viewed from above. The least energetic structure observed in this study is gtgtRR. This Figure and Figure 5 were drawn with CHEMX, developed and distributed by Chemical Design Ltd, Oxford, England.
A molecular graphics analysis of phthallocyanines in faujasite and VP1-5 is performed with a ChemX-software package from Chemical Design Ltd. Structural data of the molecular sieves and the phthallocyanine complexes were taken from the literature [9-11]-... [Pg.396]

ChemX/ChemDiverse, PharmPrint, OSPPREYS, 3D Keys, Tuplets... [Pg.40]

One of the most popular applications is ChemX/ChemDiverse of Chemical Design/Oxford Molecular (now Accelrys). Details of the approaches used there are included in this review by Mason et al. [3], Another example, of an in-house pharmacophore fingerprint construction, is PharmPrint by Affymax [4, 5]. [Pg.40]

Gundertofte K, Palm J, Pettersson I Stamvik A (1991) A comparison of conformational energies calculated by molecular mechanics (MM2(85), Sybyl 5.1, Sybyl 5.21, ChemX) and semiempirical (AMI and PM3) methods, J Comp Chem, 12 200-208... [Pg.333]

Hypothetical residue data for an exemplary chemical, CHEMX, were derived from actual residue data for four crops apples, peppers, potatoes and tomatoes. The data are presented in Table 1. [Pg.365]

Table 1. Summary Of Input Data For Dietary Risk Assessments For Chemx... Table 1. Summary Of Input Data For Dietary Risk Assessments For Chemx...
Figure 7 Yearly number of publications in the CJACS file mentioning three other molecular modeling programs. CDL is Chemical Design Ltd. The search queries for the curves were (1) macromodel, (2) pcmodel or serena, (3) chemx or chem(w)x or chemical(w)design(w)ltd or chemical(w)design(w)limited, (4) serena, and (5) chemi-cal(w)design(w)ltd or chemical(w)design(w)limited. Figure 7 Yearly number of publications in the CJACS file mentioning three other molecular modeling programs. CDL is Chemical Design Ltd. The search queries for the curves were (1) macromodel, (2) pcmodel or serena, (3) chemx or chem(w)x or chemical(w)design(w)ltd or chemical(w)design(w)limited, (4) serena, and (5) chemi-cal(w)design(w)ltd or chemical(w)design(w)limited.
CHEMX was reported to be available from Dr. K. Davies and associates, Molecular Design, Oxford, UK. See Ref. 29. [Pg.244]

URL http //www.wwnorton.com/college/titles/chemistry/chemx/... [Pg.387]

Bretz, S. L. Grove, N. CHEMX Assessing Cognitive Expectations for... [Pg.200]

Grove, N., Bretz, S. L. (2007). CHEMX An instrument to assess students cognitive expectations for learning chemistry. Journal of Chemical Education, S4(9), 1524-1929. [Pg.193]

Many such software packages are available. We have programs from commercial (CHEMX, Molecular Design Ltd), industrial (COSMIC, Dr. J. G. Vinter of Smith, Kline and French) and academic (MACROMODEL, Dr. Clark Still, Columbia University) sources. [Pg.225]

Figure 2. Pharmacophore plot generated by Chemical Design s ChemX software s... Figure 2. Pharmacophore plot generated by Chemical Design s ChemX software s...
See other pages where ChemX is mentioned: [Pg.118]    [Pg.438]    [Pg.18]    [Pg.75]    [Pg.243]    [Pg.244]    [Pg.14]    [Pg.239]    [Pg.368]    [Pg.64]    [Pg.189]    [Pg.200]    [Pg.370]    [Pg.273]    [Pg.180]    [Pg.282]    [Pg.283]    [Pg.283]    [Pg.283]    [Pg.283]    [Pg.387]    [Pg.244]    [Pg.1610]   
See also in sourсe #XX -- [ Pg.195 ]

See also in sourсe #XX -- [ Pg.55 ]

See also in sourсe #XX -- [ Pg.368 ]



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