From Mathematical Chemistry to Quantum Chemistry, to Medicinal Chemistry
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CONTRIBUTORS:
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FUNDED BY:
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GRANT PROGRAM:
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YEARS:
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2007 -
2010
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PUB TYPE:
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Grant
(ID: 1051)
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GRANT AMOUNT:
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377,500
Dollars (United States of America)
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SUBJECT(S):
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Molecular Topology; Quantum Chemistry; Computational Chemistry; DRug Design; Biologically Active Chemical Compounds
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HTTP:
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PUB ID:
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103-437-673
(Last edited on
2007/10/06 09:39:13 GMT-6)
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SUMMARY:
FROM MATHEMATICAL CHEMISTRY TO QUANTUM CHEMISTRY, TO MEDICINAL CHEMISTRY IS A COMPLEX PROJECT OF EMBEDING OF THE NEWEST KNOWLEDGE FROM THE ALL THREE TOP DOMAINS COVERED IN THE PROJECT TITLE AND REALIZING OF THE INFORMATIONAL SYSTEMS ABLE TO PROVIDE ANSWERS TO THE MOST STRINGENT CHELLENGES OF PHARMACEUTICAL PRODUCTS DESIGN AND IMPROVEMENT, HAVING AS AIM INCREASING OF BIOLOGICALLY ACTIVE ABILITY OF THE CHEMICAL COMPOUNDS WHICH ENTER INTO ITS COMPOSITION. THE MOTIVATION OF THE RESEARCH AIM IS GIVEN BY THE SIGNIFICANT PROGRESSES RECORDED IN THE LAST PERIOD RELATED TO UNDERSTANDING OF CELL GENETICS, CELLS DYNAMICS MECHANISM AND GENETIC MUTATIONS, RELATED TO INVESTIGATIONS, RECORDINGS AND DATABASE STORAGE OF MACROMOLECULAR TOPOLOGY AND MOLECULAR GEOMETRY FOR A GREAT NUMBER OF BIOLOGICALLY ACTIVE CHEMICAL COMPOUNDS, AND DEFINITELLY NOT AT THE LAST BECAUSE OF THE PROVED VIABILITY OF THE COMBINATORIAL METHODS IN DRUG DESIGN OF NEW ACTIVE CHEMICALS. COMBINATORIAL LIBRARIES INCLUDES THE MOLECULAR TOPOLOGY, MOLECULAR GEOMETRY, AND DESCRIPTORS OF BIOLOGICAL ACTIVITY RESULTED FROM MOLECULAR TOPOLOGY AND GEOMETRY. THE INFORMATIONAL SYSTEMS USES ALGORITHMS OF SELECTION, FROM WHICH MOST IMPORTANT ARE: PRINCIPAL COMPONENT ANALYSIS, INTERNAL VALIDATION, EXTERNAL VALIDATION, CORRELATED CORRELATION ANALYSIS, FOR SELECTING OF THE COMPOUNDS WITH POTENCY ON BIOLOGICAL ACTIVITY. RESEARCH ARE SUSTAINED BY A TEAM OF YOUNG SCIENTISTS WITH REMARKABLE RESULTS IN THE INTERNATIONAL FLUX OF INDEXED PUBLICATIONS FOR 2007 YEAR IN DOMANIS ON WHICH THE EMBEDED RESEARCH ARE BASED. PUBLIC ACCESS TO THE RESULTED INFORMATIONS FROM PROJECT RESEARCH WILL BE PROVIDED THROUGH REALIZING OF A WEB PORTAL.
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