| Year |
Citation |
Score |
| 2007 |
Johnson SR, Jurs PC. Prediction of Acute Mammalian Toxicity from Molecular Structure for a Diverse Set of Substituted Anilines Using Regression Analysis and Computational Neural Networks Computer-Assisted Lead Finding and Optimization: Current Tools For Medicinal Chemistry. 29-48. DOI: 10.1002/9783906390406.ch2 |
0.346 |
|
| 2006 |
Guha R, Dutta D, Jurs PC, Chen T. Local lazy regression: making use of the neighborhood to improve QSAR predictions. Journal of Chemical Information and Modeling. 46: 1836-47. PMID 16859315 DOI: 10.1021/Ci060064E |
0.635 |
|
| 2006 |
Guha R, Dutta D, Jurs PC, Chen T. R-NN curves: an intuitive approach to outlier detection using a distance based method. Journal of Chemical Information and Modeling. 46: 1713-22. PMID 16859303 DOI: 10.1021/Ci060013H |
0.577 |
|
| 2006 |
Dutta D, Guha R, Jurs PC, Chen T. Scalable partitioning and exploration of chemical spaces using geometric hashing. Journal of Chemical Information and Modeling. 46: 321-33. PMID 16426067 DOI: 10.1021/Ci050403O |
0.59 |
|
| 2005 |
Guha R, Stanton DT, Jurs PC. Interpreting computational neural network quantitative structure-activity relationship models: a detailed interpretation of the weights and biases. Journal of Chemical Information and Modeling. 45: 1109-21. PMID 16045306 DOI: 10.1021/Ci050110V |
0.593 |
|
| 2005 |
Guha R, Jurs PC. Interpreting computational neural network QSAR models: a measure of descriptor importance. Journal of Chemical Information and Modeling. 45: 800-6. PMID 15921469 DOI: 10.1021/Ci050022A |
0.606 |
|
| 2005 |
He L, Jurs PC. Assessing the reliability of a QSAR model's predictions. Journal of Molecular Graphics & Modelling. 23: 503-23. PMID 15896992 DOI: 10.1016/J.Jmgm.2005.03.003 |
0.715 |
|
| 2005 |
He L, Jurs PC, Kreatsoulas C, Custer LL, Durham SK, Pearl GM. Probabilistic neural network multiple classifier system for predicting the genotoxicity of quinolone and quinoline derivatives. Chemical Research in Toxicology. 18: 428-40. PMID 15777083 DOI: 10.1021/Tx049742M |
0.7 |
|
| 2005 |
Guha R, Jurs PC. Determining the validity of a QSAR model--a classification approach. Journal of Chemical Information and Modeling. 45: 65-73. PMID 15667130 DOI: 10.1021/Ci0497511 |
0.65 |
|
| 2004 |
Guha R, Jurs PC. Development of linear, ensemble, and nonlinear models for the prediction and interpretation of the biological activity of a set of PDGFR inhibitors. Journal of Chemical Information and Computer Sciences. 44: 2179-89. PMID 15554688 DOI: 10.1021/Ci049849F |
0.648 |
|
| 2004 |
Guha R, Serra JR, Jurs PC. Generation of QSAR sets with a self-organizing map. Journal of Molecular Graphics & Modelling. 23: 1-14. PMID 15331049 DOI: 10.1016/J.Jmgm.2004.03.003 |
0.813 |
|
| 2004 |
Guha R, Jurs PC. Development of QSAR models to predict and interpret the biological activity of artemisinin analogues. Journal of Chemical Information and Computer Sciences. 44: 1440-9. PMID 15272852 DOI: 10.1021/Ci0499469 |
0.643 |
|
| 2004 |
Stanton DT, Mattioni BE, Knittel JJ, Jurs PC. Development and use of hydrophobic surface area (HSA) descriptors for computer-assisted quantitative structure-activity and structure-property relationship studies. Journal of Chemical Information and Computer Sciences. 44: 1010-23. PMID 15154770 DOI: 10.1021/Ci034284T |
0.795 |
|
| 2003 |
He L, Jurs PC, Custer LL, Durham SK, Pearl GM. Predicting the genotoxicity of polycyclic aromatic compounds from molecular structure with different classifiers. Chemical Research in Toxicology. 16: 1567-80. PMID 14680371 DOI: 10.1021/Tx030032A |
0.739 |
|
| 2003 |
McElroy NR, Thompson ED, Jurs PC. Classification of diverse organic compounds that induce chromosomal aberrations in Chinese hamster cells. Journal of Chemical Information and Computer Sciences. 43: 2111-9. PMID 14632463 DOI: 10.1021/Ci034104F |
0.823 |
|
| 2003 |
Patankar SJ, Jurs PC. Classification of HIV protease inhibitors on the basis of their antiviral potency using radial basis function neural networks. Journal of Computer-Aided Molecular Design. 17: 155-71. PMID 13677483 DOI: 10.1023/A:1025317806473 |
0.787 |
|
| 2003 |
Mosier PD, Jurs PC, Custer LL, Durham SK, Pearl GM. Predicting the genotoxicity of thiophene derivatives from molecular structure. Chemical Research in Toxicology. 16: 721-32. PMID 12807355 DOI: 10.1021/Tx020104I |
0.774 |
|
| 2003 |
Mattioni BE, Kauffman GW, Jurs PC, Custer LL, Durham SK, Pearl GM. Predicting the genotoxicity of secondary and aromatic amines using data subsetting to generate a model ensemble. Journal of Chemical Information and Computer Sciences. 43: 949-63. PMID 12767154 DOI: 10.1021/Ci034013I |
0.846 |
|
| 2003 |
Patankar SJ, Jurs PC. Classification of inhibitors of protein tyrosine phosphatase 1B using molecular structure based descriptors. Journal of Chemical Information and Computer Sciences. 43: 885-99. PMID 12767147 DOI: 10.1021/Ci020045E |
0.833 |
|
| 2003 |
McElroy NR, Jurs PC, Morisseau C, Hammock BD. QSAR and classification of murine and human soluble epoxide hydrolase inhibition by urea-like compounds. Journal of Medicinal Chemistry. 46: 1066-80. PMID 12620084 DOI: 10.1021/Jm020269O |
0.826 |
|
| 2003 |
Serra JR, Thompson ED, Jurs PC. Development of binary classification of structural chromosome aberrations for a diverse set of organic compounds from molecular structure. Chemical Research in Toxicology. 16: 153-63. PMID 12588186 DOI: 10.1021/Tx020077W |
0.839 |
|
| 2003 |
Mattioni BE, Jurs PC. Prediction of dihydrofolate reductase inhibition and selectivity using computational neural networks and linear discriminant analysis. Journal of Molecular Graphics & Modelling. 21: 391-419. PMID 12543137 DOI: 10.1016/S1093-3263(02)00187-0 |
0.847 |
|
| 2002 |
Mosier PD, Jurs PC. QSAR/QSPR studies using probabilistic neural networks and generalized regression neural networks. Journal of Chemical Information and Computer Sciences. 42: 1460-70. PMID 12444744 DOI: 10.1021/Ci020039I |
0.727 |
|
| 2002 |
Patankar SJ, Jurs PC. Prediction of glycine/NMDA receptor antagonist inhibition from molecular structure. Journal of Chemical Information and Computer Sciences. 42: 1053-68. PMID 12376992 DOI: 10.1021/Ci010114+ |
0.807 |
|
| 2002 |
Mosier PD, Counterman AE, Jurs PC, Clemmer DE. Prediction of peptide ion collision cross sections from topological molecular structure and amino acid parameters. Analytical Chemistry. 74: 1360-70. PMID 11922305 DOI: 10.1021/Ac0112059 |
0.687 |
|
| 2002 |
Mattioni BE, Jurs PC. Prediction of glass transition temperatures from monomer and repeat unit structure using computational neural networks. Journal of Chemical Information and Computer Sciences. 42: 232-40. PMID 11911692 DOI: 10.1021/Ci010062O |
0.823 |
|
| 2002 |
Mattioni BE, Jurs PC. Development of quantitative structure-activity relationship and classification models for a set of carbonic anhydrase inhibitors. Journal of Chemical Information and Computer Sciences. 42: 94-102. PMID 11855972 DOI: 10.1021/Ci0100696 |
0.826 |
|
| 2001 |
Kauffman GW, Jurs PC. QSAR and k-nearest neighbor classification analysis of selective cyclooxygenase-2 inhibitors using topologically-based numerical descriptors. Journal of Chemical Information and Computer Sciences. 41: 1553-60. PMID 11749582 DOI: 10.1021/Ci010073H |
0.547 |
|
| 2001 |
Serra JR, Jurs PC, Kaiser KL. Linear regression and computational neural network prediction of tetrahymena acute toxicity for aromatic compounds from molecular structure. Chemical Research in Toxicology. 14: 1535-45. PMID 11712912 DOI: 10.1021/Tx010101Q |
0.846 |
|
| 2001 |
Bakken GA, Jurs PC. QSARs for 6-azasteroids as inhibitors of human type 1 5alpha-reductase: prediction of binding affinity and selectivity relative to 3-BHSD. Journal of Chemical Information and Computer Sciences. 41: 1255-65. PMID 11604025 DOI: 10.1021/Ci010036Q |
0.803 |
|
| 2001 |
McElroy NR, Jurs PC. Prediction of aqueous solubility of heteroatom-containing organic compounds from molecular structure. Journal of Chemical Information and Computer Sciences. 41: 1237-47. PMID 11604023 DOI: 10.1021/Ci010035Y |
0.829 |
|
| 2001 |
Danauskas SM, Jurs PC. Prediction of C60 solubilities from solvent molecular structures. Journal of Chemical Information and Computer Sciences. 41: 419-24. PMID 11277731 DOI: 10.1021/Ci000140S |
0.531 |
|
| 2001 |
Kauffman GW, Jurs PC. Prediction of surface tension, viscosity, and thermal conductivity for common organic solvents using quantitative structure-property relationships. Journal of Chemical Information and Computer Sciences. 41: 408-18. PMID 11277730 DOI: 10.1021/Ci000139T |
0.477 |
|
| 2001 |
Bakken GA, Kauffman GW, Jurs PC, Albert KJ, Stitzel SS. Pattern recognition analysis of optical sensor array data to detect nitroaromatic compound vapors Sensors and Actuators, B: Chemical. 79: 1-10. DOI: 10.1016/S0925-4005(01)00781-X |
0.783 |
|
| 2001 |
Bakken GA, Jurs PC. QSARs for 6-Azasteroids as Inhibitors of Human Type 1 5α-Reductase: Prediction of Binding Affinity and Selectivity Relative to 3-BHSD Journal of Chemical Information and Computer Sciences. 41: 1255-1265. |
0.724 |
|
| 2000 |
Jurs PC, Bakken GA, McClelland HE. Computational methods for the analysis of chemical sensor array data from volatile analytes. Chemical Reviews. 100: 2649-78. PMID 11749299 DOI: 10.1021/Cr9800964 |
0.731 |
|
| 2000 |
Bakken GA, Jurs PC. Classification of multidrug-resistance reversal agents using structure-based descriptors and linear discriminant analysis. Journal of Medicinal Chemistry. 43: 4534-41. PMID 11087578 DOI: 10.1021/Jm000244U |
0.798 |
|
| 2000 |
McClelland HE, Jurs PC. Quantitative structure-property relationships for the prediction of vapor pressures of organic compounds from molecular structures Journal of Chemical Information and Computer Sciences. 40: 967-75. PMID 10955525 DOI: 10.1021/Ci990137C |
0.815 |
|
| 2000 |
Kauffman GW, Jurs PC. Prediction of inhibition of the sodium ion-proton antiporter by benzoylguanidine derivatives from molecular structure. Journal of Chemical Information and Computer Sciences. 40: 753-61. PMID 10850779 DOI: 10.1021/Ci9901237 |
0.529 |
|
| 2000 |
Patankar SJ, Jurs PC. Prediction of IC50 values for ACAT inhibitors from molecular structure. Journal of Chemical Information and Computer Sciences. 40: 706-23. PMID 10850775 DOI: 10.1021/Ci990125R |
0.824 |
|
| 1999 |
Eldred DV, Jurs PC. Prediction of acute mammalian toxicity of organophosphorus pesticide compounds from molecular structure. Sar and Qsar in Environmental Research. 10: 75-99. PMID 10491847 DOI: 10.1080/10629369908039170 |
0.542 |
|
| 1999 |
Eldred DV, Weikel CL, Jurs PC, Kaiser KL. Prediction of fathead minnow acute toxicity of organic compounds from molecular structure. Chemical Research in Toxicology. 12: 670-8. PMID 10409408 DOI: 10.1021/Tx980273W |
0.557 |
|
| 1999 |
Johnson SR, Jurs PC. Prediction of the clearing temperatures of a series of liquid crystals from molecular structure Chemistry of Materials. 11: 1007-1023. DOI: 10.1021/Cm980674X |
0.478 |
|
| 1999 |
Goll ES, Jurs PC. Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model Journal of Chemical Information and Computer Sciences. 39: 974-983. DOI: 10.1021/Ci990071L |
0.516 |
|
| 1999 |
Goll ES, Jurs PC. Prediction of Vapor Pressures of Hydrocarbons and Halohydrocarbons from Molecular Structure with a Computational Neural Network Model Journal of Chemical Information and Computer Sciences. 39: 1081-1089. DOI: 10.1021/Ci9900433 |
0.493 |
|
| 1999 |
Bakken GA, Jurs PC. Prediction of Hydroxyl Radical Rate Constants from Molecular Structure Journal of Chemical Information and Computer Sciences. 39: 1064-1075. DOI: 10.1021/Ci990042A |
0.82 |
|
| 1999 |
Bakken GA, Jurs PC. Prediction of methyl radical addition rate constants from molecular structure Journal of Chemical Information and Computer Sciences. 39: 508-514. DOI: 10.1021/Ci9900130 |
0.813 |
|
| 1998 |
Wessel MD, Jurs PC, Tolan JW, Muskal SM. Prediction of human intestinal absorption of drug compounds from molecular structure. Journal of Chemical Information and Computer Sciences. 38: 726-35. PMID 9691477 DOI: 10.1021/Ci980029A |
0.47 |
|
| 1998 |
Turner BE, Costello CL, Jurs PC. Prediction of critical temperatures and pressures of industrially important organic compounds from molecular structure Journal of Chemical Information and Computer Sciences. 38: 639-645. DOI: 10.1021/Ci9800054 |
0.519 |
|
| 1998 |
Mitchell BE, Jurs PC. Prediction of aqueous solubility of organic compounds from molecular structure Journal of Chemical Information and Computer Sciences. 38: 489-496. DOI: 10.1021/Ci970117F |
0.552 |
|
| 1998 |
Mitchell BE, Jurs PC. Prediction of infinite dilution activity coefficients of organic compounds in aqueous solution from molecular structure Journal of Chemical Information and Computer Sciences. 38: 200-209. DOI: 10.1021/Ci970092K |
0.527 |
|
| 1997 |
Sutter JM, Jurs PC. Neural network classification and quantification of organic vapors based on fluorescence data from a fiber-optic sensor array. Analytical Chemistry. 69: 856-62. PMID 9068273 DOI: 10.1021/Ac960982J |
0.438 |
|
| 1997 |
Mitchell BE, Jurs PC. Prediction of autoignition temperatures of organic compounds from molecular structure Journal of Chemical Information and Computer Sciences. 37: 538-547. DOI: 10.1021/Ci960175L |
0.527 |
|
| 1997 |
Engelhardt HL, Jurs PC. Prediction of supercritical carbon dioxide solubility of organic compounds from molecular structure Journal of Chemical Information and Computer Sciences. 37: 478-484. DOI: 10.1021/Ci960085G |
0.528 |
|
| 1997 |
Johnson SR, Sutter JM, Engelhardt HL, Jurs PC, White J, Kauer JS, Dickinson TA, Walt DR. Identification of Multiple Analytes Using an Optical Sensor Array and Pattern Recognition Neural Networks Analytical Chemistry. 69: 4641-4648. DOI: 10.1021/Ac970298K |
0.357 |
|
| 1997 |
Sutter JM, Peterson TA, Jurs PC. Prediction of gas chromatographic retention indices of alkylbenzenes Analytica Chimica Acta. 342: 113-122. DOI: 10.1016/S0003-2670(96)00578-8 |
0.452 |
|
| 1996 |
Wessel MD, Sutter JM, Jurs PC. Prediction of reduced ion mobility constants of organic compounds from molecular structure. Analytical Chemistry. 68: 4237-43. PMID 21619334 DOI: 10.1021/Ac960466T |
0.461 |
|
| 1996 |
Mitchell BE, Jurs PC. Computer assisted simulation of 13C nuclear magnetic spectra of monosaccharides Journal of Chemical Information and Computer Sciences. 36: 58-64. DOI: 10.1021/Ci950262Y |
0.447 |
|
| 1996 |
Sutter JM, Jurs PC. Prediction of aqueous solubility for a diverse set of heteroatom-containing organic compounds using a quantitative structure-property relationship Journal of Chemical Information and Computer Sciences. 36: 100-107. DOI: 10.1021/Ci9501507 |
0.521 |
|
| 1996 |
Sutter JM, Jurs PC. Chapter 5 Selection of molecular descriptors for quantitative structure-activity relationships Data Handling in Science and Technology. 17: 111-132. DOI: 10.1016/S0922-3487(06)80006-7 |
0.346 |
|
| 1996 |
Clouser DL, Jurs PC. The simulation of 13C nuclear magnetic resonance spectra of dibenzofurans using multiple linear regression analysis and neural networks Analytica Chimica Acta. 321: 127-135. DOI: 10.1016/0003-2670(95)00581-1 |
0.498 |
|
| 1995 |
Clouser DL, Jurs PC. Simulation of the 13C nuclear magnetic resonance spectra of trisaccharides using multiple linear regression analysis and neural networks. Carbohydrate Research. 271: 65-77. PMID 7648583 DOI: 10.1016/0008-6215(95)00051-T |
0.505 |
|
| 1995 |
Wessel MD, Jurs PC. Prediction of normal boiling points for a diverse set of industrially important organic compounds from molecular structure Journal of Chemical Information and Computer Sciences. 35: 841-850. DOI: 10.1021/Ci00027A008 |
0.457 |
|
| 1995 |
Sutter JM, Dixon SL, Jurs PC. Automated descriptor selection for quantitative structure - Activity relationships using generalized simulated annealing Journal of Chemical Information and Computer Sciences. 35: 77-84. DOI: 10.1021/Ci00023A011 |
0.32 |
|
| 1995 |
Wessel MD, Jurs PC. Prediction of normal boiling points of hydrocarbons from molecular structure Journal of Chemical Information and Computer Sciences. 35: 68-76. DOI: 10.1021/Ci00023A010 |
0.383 |
|
| 1994 |
Nelson TM, Jurs PC. Prediction of Aqueous Solubility of Organic Compounds Journal of Chemical Information and Modeling. 34: 601-609. DOI: 10.1021/Ci00019A019 |
0.398 |
|
| 1994 |
Wessel MD, Jurs PC. Prediction of reduced ion mobility constants from structural information using multiple linear regression analysis and computational neural networks Analytical Chemistry. 66: 2480-2485. DOI: 10.1021/Ac00087A012 |
0.446 |
|
| 1994 |
Clouser DL, Jurs PC. Simulation of 13C nuclear magnetic resonance spectra of tetrahydropyrans using regression analysis and neural networks Analytica Chimica Acta. 295: 221-231. DOI: 10.1016/0003-2670(94)80227-0 |
0.428 |
|
| 1994 |
Xu L, Ball JW, Dixon SL, Jurs PC. Quantitative structure-activity relationships for toxicity of phenols using regression analysis and computational neural networks Environmental Toxicology and Chemistry. 13: 841-851. DOI: 10.1002/Etc.5620130520 |
0.461 |
|
| 1993 |
Egolf LM, Jurs PC. Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds. Analytical Chemistry. 65: 3119-26. PMID 8256872 DOI: 10.1021/Ac00069A027 |
0.479 |
|
| 1993 |
Egolf LM, Wessel MD, Jurs PC. Prediction of boiling points and critical temperatures of industrially important organic compounds from molecular structure Journal of Chemical Information and Computer Sciences. 33: 947-956. DOI: 10.1021/Ci00020A032 |
0.399 |
|
| 1993 |
Egolf LM, Jurs PC. Prediction of boiling points of organic heterocyclic compounds using regression of neural network techniques Journal of Chemical Information and Computer Sciences. 33: 616-625. DOI: 10.1021/Ci00014A015 |
0.417 |
|
| 1993 |
Ball JW, Jurs PC. Simulation of polysaccharide carbon-13 nuclear magnetic resonance spectra using regression analysis and neural networks Analytical Chemistry. 65: 3615-3621. DOI: 10.1021/Ac00072A014 |
0.385 |
|
| 1993 |
Woloszyn TF, Jurs PC. Prediction of gas chromatographic retention data for hydrocarbons from naphthas Analytical Chemistry. 65: 582-587. DOI: 10.1021/Ac00053A016 |
0.433 |
|
| 1993 |
Ball JW, Jurs PC. Automated selection of regression models using neural networks for carbon-13 NMR spectral predictions Analytical Chemistry. 65: 505-512. DOI: 10.1021/Ac00053A004 |
0.449 |
|
| 1993 |
Jaeger E, Jurs P, Stouch T. Structure-activity relationship studies of retinoid cancer inhibition European Journal of Medicinal Chemistry. 28: 275-290. DOI: 10.1016/0223-5234(93)90145-5 |
0.399 |
|
| 1993 |
Ranc ML, Jurs PC. Simulation of 13C nuclear magnetic resonance spectra of indoles Analytica Chimica Acta. 280: 145-155. DOI: 10.1016/0003-2670(93)80252-G |
0.406 |
|
| 1993 |
Stanton DT, Murray WJ, Jurs PC. Comparison of QSAR and molecular similarity approaches for a structure-activity relationship study of DHFR inhibitors - DHFR inhibitors: QSAR and molecular similarity approaches Quantitative Structure-Activity Relationships. 12: 239-245. DOI: 10.1002/Qsar.19930120304 |
0.382 |
|
| 1993 |
Dixon SL, Jurs PC. Estimation of pKa for organic oxyacids using calculated atomic charges Journal of Computational Chemistry. 14: 1460-1467. DOI: 10.1002/Jcc.540141208 |
0.303 |
|
| 1992 |
Egolf LM, Jurs PC. Estimation of autoignition temperatures of hydrocarbons, alcohols, and esters from molecular structure Industrial & Engineering Chemistry Research. 31: 1798-1807. DOI: 10.1021/Ie00007A027 |
0.377 |
|
| 1992 |
Dunnivant FM, Elzerman AW, Jurs PC, Hasan MN. Quantitative structure-property relationships for aqueous solubilities and Henry's Law constants of polychlorinated biphenyls Environmental Science and Technology. 26: 1567-1573. DOI: 10.1021/Es00032A012 |
0.364 |
|
| 1992 |
Stanton DT, Egolf LM, Jurs PC, Hicks MG. Computer-assisted prediction of normal boiling points of pyrans and pyrroles Journal of Chemical Information and Computer Science®. 32: 306-316. DOI: 10.1021/Ci00008A009 |
0.322 |
|
| 1992 |
Stanton DT, Jurs PC. Computer-assisted study of the relationship between molecular structure and surface tension of organic compounds Journal of Chemical Information and Computer Sciences®. 32: 109-115. DOI: 10.1021/Ci00005A018 |
0.36 |
|
| 1992 |
Woloszyn TF, Jurs PC. Quantitative structure-retention relationship studies of sulfur vesicants Analytical Chemistry. 64: 3059-3063. DOI: 10.1021/Ac00047A031 |
0.369 |
|
| 1992 |
Russell CJ, Dixon SL, Jurs PC. Computer-assisted study of the relationship between molecular structure and Henry's law constant Analytical Chemistry. 64: 1350-1355. DOI: 10.1021/Ac00037A009 |
0.403 |
|
| 1992 |
Anker LS, Jurs PC. Prediction of carbon-13 nuclear magnetic resonance chemical shifts by artificial neural networks Analytical Chemistry. 64: 1157-1164. DOI: 10.1021/Ac00034A015 |
0.405 |
|
| 1992 |
Needham MD, Adams KC, Jurs PC. Quantitative structure-retention relationships studies of polychlorinated dibenzofurans on gas chromatographic stationary phases of varying polarity Analytica Chimica Acta. 258: 199-218. DOI: 10.1016/0003-2670(92)85094-M |
0.318 |
|
| 1992 |
Needham MD, Jurs PC. Quantitative structure-retention relationships studies of polychlorinated dibenzodioxins on gas chromatographic stationary phases of varying polarity Analytica Chimica Acta. 258: 183-198. DOI: 10.1016/0003-2670(92)85093-L |
0.326 |
|
| 1991 |
Georgakopoulos CG, Kiburis JC, Jurs PC. Prediction of gas chromatographic relative retention times of stimulants and narcotics. Analytical Chemistry. 63: 2021-4. PMID 1684272 DOI: 10.1021/Ac00018A023 |
0.426 |
|
| 1991 |
Edwards PA, Anker LS, Jurs PC. Quantitative structure-property relationship studies of the odor threshold of odor active compounds Chemical Senses. 16: 447-465. DOI: 10.1093/Chemse/16.5.447 |
0.328 |
|
| 1991 |
Stanton DT, Jurs PC, Hicks MG. Computer-assisted prediction of normal boiling points of furans, tetrahydrofurans, and thiophenes Journal of Chemical Information and Computer Sciences®. 31: 301-310. DOI: 10.1021/Ci00002A017 |
0.325 |
|
| 1991 |
Sutton GP, Anker LS, Jurs PC. Evaluation of automated methods for the selection of models for simulation of carbon-13 nuclear magnetic resonance spectra of keto steroids Analytical Chemistry. 63: 443-449. DOI: 10.1021/Ac00005A011 |
0.379 |
|
| 1991 |
Ranc ML, Jurs PC. Simulation of carbon-13 nuclear magnetic resonance spectra of quinolines and isoquinolines Analytica Chimica Acta. 248: 183-193. DOI: 10.1016/S0003-2670(00)80883-1 |
0.331 |
|
| 1990 |
Lawson RG, Jurs PC. Cluster analysis of acrylates to guide sampling for toxicity testing. Journal of Chemical Information and Computer Sciences. 30: 137-44. PMID 2355052 DOI: 10.1021/Ci00066A007 |
0.349 |
|
| 1990 |
Anker LS, Jurs PC, Edwards PA. Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups. Analytical Chemistry. 62: 2676-84. PMID 2096733 DOI: 10.1021/Ac00223A006 |
0.429 |
|
| 1990 |
Stanton DT, Jurs PC. Development and use of charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studies Analytical Chemistry. 62: 2323-2329. DOI: 10.1021/Ac00220A013 |
0.305 |
|
| 1990 |
Egolf DS, Jurs PC. Structural analysis of polychlorinated biphenyls from carbon-13 nuclear magnetic resonance spectra Analytical Chemistry. 62: 1746-1754. DOI: 10.1021/Ac00216A006 |
0.364 |
|
| 1990 |
Smeeks FC, Jurs PC. Prediction of boiling points of alcohols from molecular structure Analytica Chimica Acta. 233: 111-119. DOI: 10.1016/S0003-2670(00)83466-2 |
0.415 |
|
| 1989 |
Randic M, Jurs PC. On a fragment approach to structure-activity correlations Quantitative Structure-Activity Relationships. 8: 39-48. DOI: 10.1002/Qsar.19890080106 |
0.329 |
|
| 1988 |
Rohrbaugh RH, Jurs PC. Prediction of gas chromatographic retention indexes for diverse drug compounds. Analytical Chemistry. 60: 2249-53. PMID 3239797 DOI: 10.1021/Ac00171A018 |
0.394 |
|
| 1988 |
Hasan MN, Jurs PC. Computer-assisted prediction of gas chromatographic retention times of polychlorinated biphenyls. Analytical Chemistry. 60: 978-82. PMID 3136681 DOI: 10.1021/Ac00161A007 |
0.384 |
|
| 1988 |
Rohrbaugh RH, Jurs PC, Ashman WP, Davis EG, Lewis JH. A structure-activity relationship study of organophosphorus compounds. Chemical Research in Toxicology. 1: 123-7. PMID 2979719 DOI: 10.1021/Tx00002A006 |
0.419 |
|
| 1988 |
Lavine BK, Jurs PC, Henry DR, Meer RKV, Pino JA, McMurry JE. Pattern recognition studies of complex chromatographic data sets: Design and analysis of pattern recognition experiments Chemometrics and Intelligent Laboratory Systems. 3: 79-89. DOI: 10.1016/0169-7439(88)80069-8 |
0.375 |
|
| 1988 |
Gombar VK, Jaeger EP, Jurs PC. Computer-assisted structure-activity relationship analysis: Pattern recognition studies on hypolipidemic arylpropionic acid derivatives Quantitative Structure-Activity Relationships. 7: 225-234. DOI: 10.1002/Qsar.19880070403 |
0.374 |
|
| 1988 |
Lavine BK, Carlson DA, Henry D, Jurs PC. Taxonomy based on chemical constitution: Differentiation of Africanized honey-bees from European honey-bees Journal of Chemometrics. 2: 29-37. DOI: 10.1002/Cem.1180020105 |
0.313 |
|
| 1988 |
Lavine BK, Jurs PC, Henry DR. Chance classifications by non-parametric linear discriminant functions Journal of Chemometrics. 2: 1-10. DOI: 10.1002/Cem.1180020103 |
0.395 |
|
| 1987 |
Henry DR, Lavine BK, Jurs PC. Electronic factors and acridine frameshift mutagenicity--a pattern recognition study. Mutation Research. 179: 115-21. PMID 3302688 DOI: 10.1016/0027-5107(87)90301-0 |
0.408 |
|
| 1987 |
Hansen PJ, Jurs PC. Prediction of olefin boiling points from molecular structure Analytical Chemistry. 59: 2322-2327. DOI: 10.1021/Ac00146A002 |
0.388 |
|
| 1987 |
Rohrbaugh RH, Jurs PC. Descriptions of molecular shape applied in studies of structure/activity and structure/property relationships Analytica Chimica Acta. 199: 99-109. DOI: 10.1016/S0003-2670(00)82801-9 |
0.455 |
|
| 1986 |
Stouch TR, Jurs PC. Computer-aided studies of the structure-activity relationships between the structure of some steroids and their antiinflammatory activity. Journal of Medicinal Chemistry. 29: 2125-36. PMID 3783574 DOI: 10.1021/Jm00161A001 |
0.434 |
|
| 1986 |
Rohrbaugh RH, Jurs PC. Prediction of gas chromatographic retention indexes of polycyclic aromatic compounds and nitrated polycyclic aromatic compounds Analytical Chemistry. 58: 1210-1212. DOI: 10.1021/Ac00297A052 |
0.415 |
|
| 1986 |
Stouch TR, Jurs PC. Chance factors in nonparametric linear discriminant studies Quantitative Structure-Activity Relationships. 5: 57-61. DOI: 10.1002/Qsar.19860050205 |
0.303 |
|
| 1985 |
Jurs PC, Stouch TR, Czerwinski M, Narvaez JN. Computer-assisted studies of molecular structure-biological activity relationships. Journal of Chemical Information and Computer Sciences. 25: 296-308. PMID 4044686 DOI: 10.1021/Ci00047A028 |
0.385 |
|
| 1985 |
Stouch TR, Jurs PC. Computer-assisted studies of molecular structure and genotoxic activity by pattern recognition techniques. Environmental Health Perspectives. 61: 329-43. PMID 3905380 DOI: 10.1289/Ehp.8561329 |
0.423 |
|
| 1985 |
Jurs P, Lavine B, Stouch T. Pattern recognition studies of complex chromatographic data sets Journal of Research of the National Bureau of Standards. 90: 543. DOI: 10.6028/Jres.090.059 |
0.307 |
|
| 1985 |
Lafemina DH, Jurs PC. A Numerical index for characterizing data set separation Journal of Chemical Information and Computer Sciences. 25: 386-388. DOI: 10.1021/Ci00048A005 |
0.327 |
|
| 1985 |
Stouch TR, Jurs PC. Monte Carlo studies of the classifications made by nonparametric linear discriminant functions. 2. Effects of nonideal data Journal of Chemical Information and Computer Science®. 25: 92-98. DOI: 10.1021/Ci00046A008 |
0.324 |
|
| 1985 |
Rohrbaugh RH, Jurs PC. Prediction of gas chromatographic retention indexes of selected olefins Analytical Chemistry. 57: 2770-2773. DOI: 10.1021/Ac00291A008 |
0.321 |
|
| 1984 |
Yuta K, Jurs PC. [Computer-assisted structure-activity studies of chemical carcinogens: aromatic amines. II. Rat and liver data set]. Yakugaku Zasshi : Journal of the Pharmaceutical Society of Japan. 104: 496-508. PMID 6491890 DOI: 10.1248/Yakushi1947.104.5_496 |
0.319 |
|
| 1983 |
Jurs PC, Hasan MN, Henry DR, Stouch TR, Whalen-Pedersen EK. Computer-assisted studies of molecular structure and carcinogenic activity. Fundamental and Applied Toxicology : Official Journal of the Society of Toxicology. 3: 343-9. PMID 6642098 DOI: 10.1016/S0272-0590(83)80002-5 |
0.44 |
|
| 1983 |
Hasan MN, Jurs PC. Computer-assisted prediction of liquid chromatographic retention indexes of polycyclic aromatic hydrocarbons Analytical Chemistry. 55: 263-269. DOI: 10.1021/Ac00253A020 |
0.308 |
|
| 1982 |
Henry DR, Jurs PC, Denny WA. Structure-antitumor activity relationships of 9-anilinoacridines using pattern recognition. Journal of Medicinal Chemistry. 25: 899-908. PMID 7120279 DOI: 10.1002/Chin.198302360 |
0.498 |
|
| 1982 |
Rose SL, Jurs PC. Computer-assisted studies of structure-activity relationships of N-nitroso compounds using pattern recognition. Journal of Medicinal Chemistry. 25: 769-76. PMID 7108894 DOI: 10.1002/Chin.198249333 |
0.469 |
|
| 1981 |
Yuta K, Jurs PC. Computer-assisted structure-activity studies of chemical carcinogens. Aromatic amines. Journal of Medicinal Chemistry. 24: 241-51. PMID 7265110 DOI: 10.1002/Chin.198132339 |
0.451 |
|
| 1981 |
Clark HA, Jurs PC. Simulation of mass spectral intensities by regression analysis of calculated structural characteristics Analytica Chimica Acta. 132: 75-88. DOI: 10.1016/S0003-2670(01)93879-6 |
0.405 |
|
| 1980 |
Yuan M, Jurs PC. Computer-assisted structure-activity studies of chemical carcinogens: a polycyclic aromatic hydrocarbon data set. Toxicology and Applied Pharmacology. 52: 294-312. PMID 7361325 DOI: 10.1016/0041-008X(80)90117-9 |
0.508 |
|
| 1979 |
Jurs PC, Chou JT, Yuan M. Computer-assisted structure-activity studies of chemical carcinogens. A heterogeneous data set. Journal of Medicinal Chemistry. 22: 476-83. PMID 458798 DOI: 10.1002/Chin.197940333 |
0.522 |
|
| 1979 |
Chou JT, Jurs PC. Computer assisted structure-activity studies of chemical carcinogens. An N-nitroso compound data set. Journal of Medicinal Chemistry. 22: 792-7. PMID 448677 DOI: 10.1021/Jm00193A008 |
0.49 |
|
| 1979 |
Whalen-Pedersen EK, Jurs PC. The probability of dichotomization by a binary linear classifier as a function of training set population distribution Journal of Chemical Information and Computer Sciences. 19: 264-266. DOI: 10.1021/Ci60020A602 |
0.318 |
|
| 1979 |
Chou JT, Jurs PC. Computer-assisted computation of partition coefficients from molecular structures using fragment constants Journal of Chemical Information and Computer Science ®. 19: 172-178. DOI: 10.1021/Ci60019A013 |
0.332 |
|
| 1978 |
Stuper AJ, Jurs PC. Structure-activity studies of barbiturates using pattern recognition techniques. Journal of Pharmaceutical Sciences. 67: 745-51. PMID 660446 |
0.377 |
|
| 1977 |
Brugger WE, Jurs PC. Extraction of important molecular features of musk compounds using pattern recognition techniques. Journal of Agricultural and Food Chemistry. 25: 1158-64. PMID 893844 DOI: 10.1021/Jf60213A001 |
0.34 |
|
| 1976 |
Stuper AJ, Jurs PC. Reliability of nonparametric linear classifiers Journal of Chemical Information and Computer Sciences. 16: 238-241. DOI: 10.1021/Ci60008A012 |
0.302 |
|
| 1976 |
Brugger WE, Stuper AJ, Jurs PC. Generation of descriptors from molecular structures Journal of Chemical Information and Computer Sciences. 16: 105-110. DOI: 10.1021/Ci60006A015 |
0.337 |
|
| 1975 |
Abe H, Jurs PC. Automated chemical structure analysis of organic molecules with a molecular structure generator and pattern recognition techniques Analytical Chemistry. 47: 1829-1835. DOI: 10.1021/Ac60361A007 |
0.344 |
|
| 1974 |
Isenhour TL, Kowalski BR, Jurs PC, Meites L. Applications of pattern recognition to chemistry C R C Critical Reviews in Analytical Chemistry. 4: 1-44. DOI: 10.1080/10408347408542669 |
0.564 |
|
| 1973 |
Schechter J, Jurs PC. Generation of Simulated Mass Spectra of Small Organic Molecules by Computerized Pattern Recognition Techniques Applied Spectroscopy. 27: 30-40. DOI: 10.1366/000370273774333902 |
0.339 |
|
| 1973 |
Schechter J, Jurs PC. Improved Discriminant Training and Feature Extraction for the Generation of Simulated Mass Spectra of Small Organic Molecules Applied Spectroscopy. 27: 225-232. DOI: 10.1366/000370273774333542 |
0.343 |
|
| 1973 |
Felty WL, Jurs PC. Multicategory prediction using arrays of binary pattern classifiers Analytical Chemistry. 45: 885-889. DOI: 10.1021/Ac60328A012 |
0.358 |
|
| 1972 |
Pietrantonio L, Jurs PC. Iterative least squares development of discriminant functions for spectroscopic data analysis by pattern recognition Pattern Recognition. 4: 391-400. DOI: 10.1016/0031-3203(72)90038-6 |
0.379 |
|
| 1971 |
Jurs PC. Machine Intelligence Applied to Chemical Systems: A Graph Theoretical and Learning Machine Study of Second-Order Effects in Low Resolution Mass Spectra Applied Spectroscopy. 25: 483-488. DOI: 10.1366/000370271779950102 |
0.343 |
|
| 1971 |
Wangen LE, Frew NM, Isenhour TL, Jurs PC. Investigation of the Fourier Transform for Analyzing Spectroscopic Data by Computerized Learning Machines Applied Spectroscopy. 25: 203-207. DOI: 10.1366/000370271779948736 |
0.574 |
|
| 1971 |
ISENHOUR TL, JURS PC. Some Chemical Applications of Machine Intelligence Analytical Chemistry. 43: 20A-35A. DOI: 10.1021/Ac60304A715 |
0.557 |
|
| 1971 |
Isenhour TL, Jurs PC. Chemical applications of machine intelligencee Analytical Chemistry. 43: 20A-35a. DOI: 10.1021/Ac60304A037 |
0.557 |
|
| 1971 |
Jurs PC. Machine intelligence applied to chemical systems. Prediction and reliability improvement in classification of low-resolution mass spectrometry data Analytical Chemistry. 43: 22-26. DOI: 10.1021/Ac60296A007 |
0.354 |
|
| 1970 |
Jurs PC, Isenhour TL. An Analog Computer Controlled Gamma-Ray Spectrometer for Comparative Activation Analysis Nuclear Applications and Technology. 9: 584-590. DOI: 10.13182/Nt70-A28768 |
0.515 |
|
| 1970 |
Isenhour TL, Jurs PC. Photographic method of pulse height analysis Journal of Chemical Education. 47: 719. DOI: 10.1021/Ed047P719 |
0.514 |
|
| 1970 |
Jurs PC, Kowalski BR, Isenhour TL, Reilley CN. Computerized learning machines applied to chemical problems. Molecular structure parameters from low resolution mass spectrometry Analytical Chemistry. 42: 1387-1394. DOI: 10.1021/Ac60294A015 |
0.569 |
|
| 1969 |
Kowalski BR, Jurs PC, Isenhour TL, Reilley CN. Computerized learning machines applied to chemical problems: Multicategory pattern classification by least squares Analytical Chemistry. 41: 695-699. DOI: 10.1021/Ac60275A026 |
0.571 |
|
| 1969 |
Jurs PC, Kowalski BR, Isenhour TL, Reilley CN. Computerized learning machines applied to chemical problems. Convergence rate and predictive ability of adaptive binary pattern classifiers Analytical Chemistry. 41: 690-695. DOI: 10.1021/Ac60275A025 |
0.597 |
|
| 1969 |
Jurs PC, Kowalski BR, Isenhour TL. Computerized learning machines applied to chemical problems: Molecular formula determination from low resolution mass spectrometry Analytical Chemistry. 41: 21-27. DOI: 10.1021/Ac60270A002 |
0.558 |
|
| 1969 |
Jurs PC, Kowalski BR, Isenhour TL, Reilley CN. An investigation of combined patterns from diverse analytical data using computerized learning machines Analytical Chemistry. 41: 1949-1951. DOI: 10.1021/Ac50159A027 |
0.558 |
|
| 1969 |
Kowalski BR, Jurs PC, Isenhour TL, Reilley CN. Computerized learning machines applied to chemical problems: Interpretation of infrared spectrometry data Analytical Chemistry. 41: 1945-1949. DOI: 10.1021/Ac50159A026 |
0.564 |
|
| 1967 |
Jurs PC, Isenhour TL. Binomial distribution statistics applied to minimizing activation analysis counting errors Analytical Chemistry. 39: 1388-1394. DOI: 10.1021/Ac60256A027 |
0.552 |
|
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