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MASP--a program predicting mass spectra of combinatorial libraries

, : MASP--a program predicting mass spectra of combinatorial libraries. Journal of chemical information and computer sciences 37(3): 449-457

MASP, a program predicting fragmentation-free mass spectra of libraries prepared by combinatorial synthesis, is presented. MASP combines user-defined building blocks with a nonvariable core molecule and calculates isotopically resolved mass spectra. Peak overlap and the abundance of major and minor isotope peaks can be examined interactively and read from a color display of the spectrum. Further, MASP exhaustively screens a Meta-Library Space to identify libraries with minimum peak overlap and maximum diversity. Diversity can be defined by the user, e.g., as size, hydrophobicity, or hydrogen bonding capability. The usefulness of such a screen for the design of libraries is demonstrated for meso-substituted tetraphenylporphyrins and peptides with a meta-library space of up to 3080 libraries and 625 compounds per library. The program operates on a PC platform under MS Windows 95. It may be useful for drug discovery and optimization studies that employ methods of combinatorial synthesis and mass spectrometry-guided in vitro selection.


DOI: 10.1021/ci960160n

Other references

Sawwaf, W.; Siage, J., 1964: Example Of A Generalized Interstitial Calcinosis. Revue Medicale du Moyen-Orient 21: 49-52

Cochran P.A., 1991: An unusual microhabitat for a fossorial snake in the rainforest of peru. Transactions of the Kansas Academy of Science 94(1-2): 77-78

Ploeger, B.J., 1977: Strategies for responsible development. Establishment of a prototype of rural integrated agricultural development in Niger: project outline. The experience of relief agencies during the drought in the Sahelian region of W. Africa made it clear that food-aid programmes would have to be repeated unless the affected countries were assisted in long-term efforts towards self-development. Du...

Mccrone W.C., 1980: The asbestos particle atlas. Mccrone, W C The Asbestos Particle Atlas V+122p Ann Arbor Science Publishers, Inc : Ann Arbor, Mich , Usa Illus V+122p

Benigno, B.B.; Hines, J.F., 2016: Phase II study of nab-paclitaxel plus carboplatin in patients with recurrent platinum-sensitive ovarian or primary peritoneal cancer. NlmCategory="UNASSIGNED">15033 Background: This open-label, non-randomized study was designed to determine the efficacy and safety of nab-paclitaxel (a 130-nm albumin-bound particle form of paclitaxel) plus carboplatin in patients wit...

Anonymous, 2004: Volume 165 Subject Index. International Journal of Plant Sciences 165(6): 59-63

Hall K., 1968: Disappearance of histochemically demonstrable enz atpase and of periodic acid schiff reactive basement membranes in blood vessels in the decidua during ovum implantation in mice. Journal of Endocrinology 41(1): 53-59

Carroll, P.F., 1988: Lowering the risks of endotracheal suctioning. Nursing 18(5): 46-50

Paparozzi E.T.; Tukey H.B.Jr, 1979: Foliar uptake of nutrients by selected ornamental plants. Rooted cuttings of Pilea cadierei Gagnep. and Guillaum., Chrysanthemum morifolium Ramat. cv. Giant #4 Indianapolis White, Hedera helix L. cv. Thorndale, Pachysandra terminalis Siebold and Zucc. and young plants of Juniperus chinensis L. cv. Mint J...

Pegel T.V.; Salikhova A.K.; Sukhov S.S., 1991: Comprehensive method for correlating wells for the development of stratigraphic basis of Cambrian deposits in the southeastern slope of Anabar Anteclise according to data of Daldyno-Alakitskiy region. Pages 82-83 1991