Raport de cercetare - Lorentz JÄNTSCHI

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(Jäntschi & Bolboacă, 2007-JLRR): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, The Jungle of Linear Regression Revisited, Leonardo Electronic Journal of Practices and Technologies, AcademicDirect, ISSN 1583-1078, www, Internet, 6(10), p. 169-187, 2007. (Jäntschi & Bolboacă, 2007-MDFA): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, Molecular Descriptors Family Project and Their Application on Structure-Property/Activity Relationships, ChemMod 2007 - Chemical Graph Theory and Molecular Modeling Workshop, Faculty of Chemistry and Chemical Engineering of Babes-Bolyai University and European Society of Mathematical Chemistry, Poster #22, Cluj-Napoca, Romania, October 23-26, p. 22, 2007. (Jäntschi & Bolboacă, 2007-MDFC): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, Molecular Descriptors Family on Chromatography, BBCAC-4 4th Black Sea Basin Conference on Analytical Chemistry, "St. Kliment Ohridski" University of Sofia, Poster P128, Sunny Beach, Bulgaria, September 19-23, 2007. (Jäntschi & Bolboacă, 2007-MDFE): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, Structure- Activity Relationships on the Molecular Descriptors Family Project at the End, Leonardo Electronic Journal of Practices and Technologies, AcademicDirect, ISSN 1583-1078, www, Internet, 6(11), p. 163-180, CAS-AN 2008:532878, 2007. (Jäntschi & Bolboacă, 2007-RMDF): Lorentz JÄNTSCHI, Sorana BOLBOACĂ, Results from the Use of Molecular Descriptors Family on Structure Property/Activity Relationships, International Journal of Molecular Sciences, Molecular Diversity Preservation International, ISSN 1422-0067, www & Basel, Internet & Switzerland, 8(3), p. 189-203, CAN 147:317671, 2007. (Jäntschi & Bolboacă, 2008): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, A Structural Modelling Study on Marine Sediments Toxicity, Marine Drugs, Molecular Diversity Preservation International, ISSN 1660-3397, Basel, Switzerland, 6(2), p. 372-388, DOI: 10.3390/md20080017, 2008. (Jäntschi & Bolboacă, 2008-EEVC): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, Entropy and Energy of Substructures Obtained by Vertex Cutting in Regular Trees, Fifth International Conference of Applied Mathematics and Computing, University of Chemical Technology and Metallurgy Sofia & Technical University of Plovdiv, Invited lecture, presented on August 12, from 16.30 to 17.00, Plovdiv, Bulgaria, Proc Int Conf Appl Math Comput 2008 5(2), p. 216, 2008. (Jäntschi & Bolboacă, 2008-EMGT): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, Embedded Molecular Geometry and Molecular Topology Approach for Structure - Activity Relationships, Strasbourg Summer School on Chemoinformatics, Louis Pasteur University, June 22-25, Obernai, France, #8, 2008. (Jäntschi & Bolboacă, 2008-MQMC): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, From Mathematical Chemistry to Quantum and Medicinal Chemistry, 17th European Symposium on Quantitative Structure-Activity Relationships & Omics Technologies and Systems Biology, Cheminformatics and QSAR Society, September 21-26, Uppsala, Sweden, Oral presentation (Session 9: Emerging Technologies), Friday September 26th, 1010-1030, 2008. (Jäntschi & Bolboacă, 2009-CPRI): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, Counting Polynomials on Regular Iterative Structures, Applied Medical Informatics, SRIMA, Applied Medical Informatics, Cluj-Napoca, Romania, 24(1-2), p. 67-95, 2009. (Jäntschi & Bolboacă, 2009-DF2): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, Distribution Fitting 2. Pearson-Fisher, Kolmogorov-Smirnov, Anderson-Darling, Wilks-Shapiro, Kramer-von- Misses and Jarque-Bera statistics, Bulletin of University of Agricultural Sciences and Veterinary Medicine Cluj-Napoca. Horticulture, AcademicPres, ISSN 1843-5254, eISSN 1843-5394, Cluj- Napoca, Romania, 66(2), p. 691-697, 2009. (Jäntschi & Bolboacă, 2009-EDFD): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, Entropy due to Fragmentation of Dendrimers, Surveys in Mathematics and its Applications, University Constantin Brâncuşi of Târgu-Jiu, ISSN 1843-7265, eISSN 1842-6298, Targu Jiu, Romania, 4, p. 168-176, 2009. (Jäntschi & Bolboacă, 2009-OvO): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, Observation vs. 312
Observable: Maximum Likelihood Estimations according to the Assumption of Generalized Gauss and Laplace Distributions, Leonardo Electronic Journal of Practices and Technologies, AcademicDirect, eISSN 1583-1078, Cluj-Napoca, Romania, 8(15), p. 81-104, 2009. (Jäntschi & Bolboacă, 2010-EPCI): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, Exact Probabilities on Confidence Limits for Binomial Samples: Applied to the Difference between Two Proportions, TheScientificWorldJOURNAL, TheScientificWorld, ISSN 1537-744X, Kirkkonummi, Finland, 10(5), p. 865-878, 2010. (Jäntschi & Bolboacă, 2010-REBP): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, The relationship between energy calculations and boiling points of n-alkanes, Studia Universitatis Babeş-Bolyai. Series Chemia, in press (2010, pp. 1-7). (Jäntschi & Diudea, 2003-DM1): Lorentz JÄNTSCHI, Mircea V. DIUDEA, Data Mining. 1. Glycine Content Estimation from Activity Coefficients Measurement, Leonardo Journal of Sciences, AcademicDirect, ISSN 1583-0233, www, Internet, 2(2), p. 53-63, 2003. (Jäntschi & Diudea, 2006-SPV): Lorentz JÄNTSCHI, Mircea V. DIUDEA, Subgraphs by Pairs of Vertices, TOPMOL2006 - 20 Years Anniversary of Molecular Topology at Cluj, Babes-Bolyai University, CEEx M3 PR-D11-PT00-41, Cluj-Napoca, Romania, p. 16 [Plenary oral presentation], September 25-30, 2006. (Jäntschi & Diudea, 2009-sGPV): Lorentz JÄNTSCHI, Mircea V. DIUDEA, Subgraphs of Pair Vertices, Journal of Mathematical Chemistry, Springer Verlag, ISSN 0259-9791, eISSN 1572- 8897, Berlin, Germany, 45(2), p. 364-371, DOI: 10.1007/s10910-008-9411-6, 2009. (Jäntschi & Diudea, 2011-C16V): Lorentz JÄNTSCHI, Mircea V. DIUDEA, Centrality of some cubic graphs on 16 vertices, Journal of Indian Chemical Society, 87(12):1531-1537, 2011. (Jäntschi & Naşcu, 2002-FSD3): Lorentz JÄNTSCHI, Horea Iustin NAŞCU, Free Software Development. 3. Numerical Description of Soft Acid with Soft Base Titration, Leonardo Journal of Sciences, AcademicDirect, ISSN 1583-0233, www, Internet, 1(1), p. 53-68, 2002. (Jäntschi & Naşcu, 2002-NDT): Lorentz JÄNTSCHI, Horea Iustin NAŞCU, Numerical Description of Titration, International Conference on Quality Control, Automation and Robotics, Mediamira, ISBN 973-9357-10-3, Cluj-Napoca, Romania, 1, p. 259-262, May 23-25, 2002. (Jäntschi & others, 2003-SQLA): Lorentz JÄNTSCHI, Mariana MARCU, Sorana Daniela BOLBOACĂ, SQL Application for Secondary School Leaving Examination, UNITECH'03 International Scientific Conference, Technical University of Gabrovo, ISBN 954-683-167-0, Gabrovo, Bulgaria, 2003, p. 258-262, November 21-22, 2003. (Jäntschi & others, 2005-CSII): Lorentz JÄNTSCHI, Mihaela Ligia UNGUREŞAN, Sorana Daniela BOLBOACĂ, Complex Structural Information Integration: Inhibitor Activity on Carbonic Anhydrase II of Substituted Disulfonamides, Applied Medical Informatics, SRIMA, ISSN 1224- 5593, Cluj-Napoca, Romania, 17(3-4), p. 12-21, 2005. (Jäntschi & others, 2006-GPAP): Lorentz JÄNTSCHI, Carmen Elena STOENOIU, Sorana Daniela BOLBOACĂ, Use of Graph Polynomials for Characterization of Alkanes Properties, International Symposium on Organic Chemistry, December 9-12, 2006, Avangard Prisma, ISBN 954-323-243-1 & 978-954-323-243-7, Sofia, Bulgaria, p. 87-88, December 9-12, 2006. (Jäntschi & others, 2006-RPRD): Lorentz JÄNTSCHI, Mădălina Ana VĂLEANU, Sorana Daniela BOLBOACĂ, Rapid Programming of Relational Databases Applications (in Romanian), AcademicDirect & AcademicPres, ISBN: 973-86211-5-1 & 978-973-86211-5-2 (AcademicDirect) && ISBN 973-744-044-7 & 978-973-744-044-0 (AcademicPres), www & Cluj-Napoca, Internet & Romania, 233 p., 2006. (Jäntschi & others, 2007): Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ, Mircea V. DIUDEA, Chromatographic Retention Times of Polychlorinated Biphenyls: from Structural Information to Property Characterization, International Journal of Molecular Sciences, Molecular Diversity Preservation International, ISSN 1422-0067, Basel & www, Switzerland & Internet, 8(11), p. 1125-1157, CAS-AN 2008:423655, 2007. (Jäntschi & others, 2007-CCPN): Lorentz JÄNTSCHI, Sorana-Daniela BOLBOACĂ, Cristina Maria FURDUI, Characteristic and Counting Polynomials on Modeling Nonane Isomers 313
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Raport de cercetare - lucrare în e
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2. Scop şi obiective Scopul proiec
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abordare integrată în căutarea r
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• cu acces parţial restricţiona
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2007A1. Planificarea activităţilo
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2 Y = 0.852 -1 =a+bX -1 (Y -1 -a-bX
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PCB128 136.38 -3.4116 0.7761 PCB129
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ISDmsHt lADrtHg Y Equation Residue
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Tabelul următor prezintă sintetic
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d_RSD INF 2.6057 d_Volum Matricea p
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30 1.02 0.63 1.75 2.67 160 31 1.14
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Matricea valorilor coeficientului d
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evaluare sistematică pentru identi
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introductivă în subiectul prezent
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Studio (al companiei Accelrys) a pe
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Setting the weights equal to 1 give
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÷ Lucrare: Quantitative structure-
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compound ranking in the database. A
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vectors based on the cloning strate
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"Recent Advances in Synthesis and C
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will be highly inactive, moderately
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Publication Frequency: 8 issues per
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of strand breaks and when they do o
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ibonucleotide reductase Journal of
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scenarios are to be compared, e.g.
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hydrazones • ligand-based drug de
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modalitatea de culegere, colectare
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÷ Transversală: studierea unui e
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9 10 12 8 1 4 3 2 2 15 8 5 4 3 4 8
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2 1 1 2 3 2 0 1 4 3 2 2 5 4 2 0 6 5
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10 1 0 1 0 1 1 1 1 0 1 0 11 0 0 0 1
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12 0 0 0 1 0 0 L12 Factori (nivele)
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3 1 ×2 4 A(3) B(2) C(2) D(2) E(2)
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9 8 0 2 2 2 1 1 10 9 1 2 1 1 0 0 11
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7 1 4 1 1 2 4 8 2 2 3 4 1 1 9 3 2 1
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1 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0
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11 10 9 9 4 11 12 11 8 10 3 13 13 1
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÷ Endorelaţie binară (`2-e-r`):
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muchiei e); ponderile pentru vârfu
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ale grafului; între numărul de fe
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Detur d5,1=3; d5,2=3; d5,3=2; d5,4=
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3 1 024220000 1145 4 0 022100222 11
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o ΣA(·) 2 : 231; o Matricea: De 1
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(10, 3) [10, 6, 3] {7, 10, 11} (3,
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11 0.250 0.333 0.333 0.333 0.250 0.
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(5, 11) [5, 1, 2, 3, 6, 9, 8, 7, 11
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(1, 11) [1, 2, 3, 6, 10, 11] {1, 4,
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(9, 11) [9, 8, 7, 11] {1, 2, 3, 4,
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(3, 8) [3, 6, 10, 11, 7, 8] {1, 2,
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6 0.167 0.167 0.167 0.167 0.167 0.0
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5 0.500 0.500 0.500 0.500 0.000 0.3
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Tabelul 10. Matricea caracteristic
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10 6 7 8 9 10 11 11 6 7 8 9 10 11 6
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Astfel, adaptând principiul I al t
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Din formula sa de definiţie dS = d
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produsul final al întregului lanţ
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Tabelul 16. Cât de dulci sunt zaha
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÷ CSLS; ÷ Cyberlipid Center; ÷ D
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÷ STING Millenium Suite; ÷ wwPDB;
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pentru care algoritmul performează
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scopul maximizării randamentului d
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solului, calitatea vremii, manageme
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Fragmentation criteria Fragment of
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o Se încrucişează Genotip1 cu Ge
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Measures of Disease in Health Resea
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Generarea întâmplătoare stratifi
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Functional Networks Noelia Sánchez
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o SVMs application to protein secon
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Meta-learning for Algorithm Recomme
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Similarity Assessment with PDR-FP
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• Representations of a molecular
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Introduction - Non HTS Hit Recognit
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Post-processing: Visual Inspection
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PCB013 146.55 -2.7348 0.3315 0.3241
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PCB113 136.08 -3.2367 0.5862 0.5861
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Regression 1 6.730776811 6.730777 7
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Metoda Formula intervalului de înc
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1.2 1 0.8 0.6 0.4 0.2 Metoda ArcS 0
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Metoda AvADA(0) AvADA(1) AvADS(0) A
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12 11.01 9.99 10 8 6 4 2 0 6 5 4 3
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Planificarea activităţilor experi
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o Generalized functions; o Operator
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approaches of QSAR modeling o Sessi
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Bookhaven pe care o transferă prog
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1.21739507388622E+000 y= 7.38149868
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20 020_3613389 7.783 -1.627 5.661 0
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} function atom_info($atom,&$cnv_to
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}else{ } } $this->tmp_dist=array();
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} } return "({".implode(",",$this->
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if($this->p12_2) $this->f[57] =$thi
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$fr_f_t=pow(pow($fr_f_x,2)+pow($fr_
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} } $this->f[$a]=$ret; } Interacţi
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÷ 2 tipuri de selecţii ale valori
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} $ret[$j][$k]=array(0.0,0.0,0.0,0.
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if(!$q){ } echo($query." :ERROR!\r\
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} unset($a); $query="INSERT INTO `"
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$ok=$this->check_finite();if(!$ok)r
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$q=mysql_query($query_prop."'".$mdf
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2005-RIMC; Jäntschi & Bolboacă, 2
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0.918 0.9 5 14 23110_ 69 332064 837
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0.9665 0.9525 4 30 33504 73 r = 0.9
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20 41521_ lNMrEQg*0.336843860556055
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54 DevMTOp25_ y=1.893045064859439+
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82 19654_ lIDRFMg*-1.31755354516111
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y=3.463929176330566+ ABDmtQg*-13.01
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iBMmwHg*1195.781250000000000+ iFPME
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161 15aacidsHyd_ lSDmwMt*6.37250438
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Relaţii semicantitative structură
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MDFV (Jäntschi şi Bolboacă, 2008
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SAPF (©2009) CF:3 DO:2 AP:5 DP:6 P
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N0) fenotipurilor între generaţii
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adevăr (T/F) pentru fiecare operat
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S5 String[255] Şir de maxim 255 ca
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end; with(MDF)do repeat CF_Rs;SA_Fr
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sfs_FITNESS_strategy= proportional/
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parametrul statistic descriptiv mx
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d_n:S9; Variabilă folosită la pen
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(s:S9):B0T; configurare a execuţie
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; ÷ mută părinţi cu probabilita
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procedure SL_QSr (i,j:I0T); procedu
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XX_min = XX_max = XX_avg = XX (XX =
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$p_max[$i]=1.0*$m-1.0*$m*$tdist->_g
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$d[$i][$k++]=$c[$i][$j]; for($i=0;$
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for($i=0;$i
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mat_means($n,$m,$y,$x,$ma,$mb); red
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} if(strlen($s)>0) $t[]=$s; return
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este necesar ca să se asume ipotez
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6(( b − a + 1) Asimetria; excesul
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Page 263 and 264: Varianţa Var γ1 (nX-1)σ 2 /nX 2
Page 265 and 266: Σ1≤i≤m(Ŷi-Yi) 2 → min. (3)
Page 267 and 268: Tabelul 24. Valorile optimizate ale
Page 269 and 270: eroare m(n-1) 2 m ⎛ n ⎛ n ⎞
Page 271 and 272: http://l.academicdirect.ro/Chemistr
Page 277 and 278: 73 la convergenţă folosind un alg
Page 279 and 280: Cl(n) Cl (n) PCBs: Seria bifenililo
Page 281 and 282: PCB027 Cl Cl Cl 5.447 PCB028 Cl Cl
Page 283 and 284: PCB071 Cl Cl Cl Cl 5.987 PCB072 Cl
Page 285 and 286: PCB110 Cl Cl Cl Cl Cl 6.532 PCB111
Page 287 and 288: PCB151 Cl Cl Cl Cl Cl Cl 6.647 PCB1
Page 289 and 290: PCB191 Cl Cl Cl Cl Cl Cl Cl 7.557 P
Page 291 and 292: O altă remarcă se poate face cu p
Page 293 and 294: al eşantionului pe care o induc me
Page 295 and 296: PmkEt 1 26 26 sDDJEg 1 26 26 MDDKHt
Page 297 and 298: 86 Abateri semnificative statistic
Page 299 and 300: Generaţii ce produc evoluţii (num
Page 301 and 302: Rar (D, P) (D, T) Figura 2. Cât de
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Page 305 and 306: Portalul "MDF" Portalul "Statistics
Page 307 and 308: (Bolboacă & Jäntschi, 2007-AAHS):
Page 309 and 310: Environment, Applied Medical Inform
Page 311: AcademicDirect, ISSN 1583-1078, www
Page 315 and 316: and Veterinary Medicine Cluj-Napoca
Page 317 and 318: Relative Response Factor using Mole
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Raport de cercetare - Lorentz JÄNTSCHI

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