Gilles Klopman - Publications

Affiliations: 
Chemistry Case Western Reserve University, Cleveland Heights, OH, United States 
Area:
Structure-Activity Studies of Biologically Active Molecules
Website:
http://www.case.edu/artsci/chem/faculty/klopman/

175 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2013 Saiakhov R, Chakravarti S, Klopman G. Effectiveness of CASE Ultra Expert System in Evaluating Adverse Effects of Drugs. Molecular Informatics. 32: 87-97. PMID 27481026 DOI: 10.1002/minf.201200081  0.32
2013 Saiakhov R, Chakravarti S, Klopman G. Effectiveness of CASE ultra expert system in evaluating adverse effects of drugs Molecular Informatics. 32: 87-97. DOI: 10.1002/minf.201200081  1
2012 Chakravarti SK, Saiakhov RD, Klopman G. Optimizing predictive performance of CASE Ultra expert system models using the applicability domains of individual toxicity alerts. Journal of Chemical Information and Modeling. 52: 2609-18. PMID 22947043 DOI: 10.1021/ci300111r  1
2010 Saiakhov RD, Klopman G. Benchmark performance of MultiCASE Inc. software in Ames mutagenicity set. Journal of Chemical Information and Modeling. 50: 1521. PMID 20695480 DOI: 10.1021/ci1000899  1
2009 Matthews EJ, Ursem CJ, Kruhlak NL, Benz RD, Sabaté DA, Yang C, Klopman G, Contrera JF. Identification of structure-activity relationships for adverse effects of pharmaceuticals in humans: Part B. Use of (Q)SAR systems for early detection of drug-induced hepatobiliary and urinary tract toxicities. Regulatory Toxicology and Pharmacology : Rtp. 54: 23-42. PMID 19422098 DOI: 10.1016/j.yrtph.2009.01.009  1
2009 Chakravarti SK, Klopman G. Finding relevant genes involved in the cytotoxicity mechanisms of anticancer biophores Current Computer-Aided Drug Design. 5: 215-224. DOI: 10.2174/157340909789577883  1
2008 Saiakhov RD, Klopman G. MultiCASE Expert Systems and the REACH Initiative. Toxicology Mechanisms and Methods. 18: 159-75. PMID 20020912 DOI: 10.1080/15376510701857460  1
2008 Chakravarti SK, Klopman G. A structural analysis of the differential cytotoxicity of chemicals in the NCI-60 cancer cell lines. Bioorganic & Medicinal Chemistry. 16: 4052-63. PMID 18243714 DOI: 10.1016/j.bmc.2008.01.024  1
2007 Sedykh A, Klopman G. Data analysis and alternative modelling of MITI-I aerobic biodegradation. Sar and Qsar in Environmental Research. 18: 693-709. PMID 18038368 DOI: 10.1080/10629360701698878  1
2007 Matthews EJ, Kruhlak NL, Daniel Benz R, Ivanov J, Klopman G, Contrera JF. A comprehensive model for reproductive and developmental toxicity hazard identification: II. Construction of QSAR models to predict activities of untested chemicals. Regulatory Toxicology and Pharmacology : Rtp. 47: 136-55. PMID 17175082 DOI: 10.1016/j.yrtph.2006.10.001  1
2006 Sedykh AY, Klopman G. A structural analogue approach to the prediction of the octanol-water partition coefficient. Journal of Chemical Information and Modeling. 46: 1598-603. PMID 16859291 DOI: 10.1021/ci0505269  1
2005 Netzeva TI, Worth A, Aldenberg T, Benigni R, Cronin MT, Gramatica P, Jaworska JS, Kahn S, Klopman G, Marchant CA, Myatt G, Nikolova-Jeliazkova N, Patlewicz GY, Perkins R, Roberts D, et al. Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52. Alternatives to Laboratory Animals : Atla. 33: 155-73. PMID 16180989 DOI: 10.1177/026119290503300209  1
2005 Klopman G, Zhu H. Recent methodologies for the estimation of n-octanol/water partition coefficients and their use in the prediction of membrane transport properties of drugs. Mini Reviews in Medicinal Chemistry. 5: 127-33. PMID 15720283  1
2004 Klopman G, Zhu H, Fuller MA, Saiakhov RD. Searching for an enhanced predictive tool for mutagenicity. Sar and Qsar in Environmental Research. 15: 251-63. PMID 15370416 DOI: 10.1080/10629360410001724897  1
2004 Klopman G, Chakravarti SK, Zhu H, Ivanov JM, Saiakhov RD. ESP: a method to predict toxicity and pharmacological properties of chemicals using multiple MCASE databases. Journal of Chemical Information and Computer Sciences. 44: 704-15. PMID 15032553 DOI: 10.1021/ci030298n  1
2003 Klopman G, Zhu H, Ecker G, Chiba P. MCASE study of the multidrug resistance reversal activity of propafenone analogs. Journal of Computer-Aided Molecular Design. 17: 291-7. PMID 14635722 DOI: 10.1023/A:1026124505322  1
2003 Klopman G, Chakravarti SK, Harris N, Ivanov J, Saiakhov RD. In-silico screening of high production volume chemicals for mutagenicity using the MCASE QSAR expert system. Sar and Qsar in Environmental Research. 14: 165-80. PMID 12747573 DOI: 10.1080/1062936031000073171  1
2003 Klopman G, Stuart SE. Multiple computer-automated structure evaluation study of aquatic toxicity. III. Vibrio fischeri. Environmental Toxicology and Chemistry / Setac. 22: 466-72. PMID 12627631 DOI: 10.1897/1551-5028(2003)022<0466:MCASES>2.0.CO;2  1
2003 Klopman G, Chakravarti SK. Screening of high production volume chemicals for estrogen receptor binding activity (II) by the MultiCASE expert system. Chemosphere. 51: 461-8. PMID 12615097 DOI: 10.1016/S0045-6535(02)00858-5  1
2003 Klopman G, Chakravarti SK. Structure-activity relationship study of a diverse set of estrogen receptor ligands (I) using MultiCASE expert system. Chemosphere. 51: 445-59. PMID 12615096 DOI: 10.1016/S0045-6535(02)00859-7  1
2002 Klopman G, Stefan LR, Saiakhov RD. ADME evaluation. 2. A computer model for the prediction of intestinal absorption in humans. European Journal of Pharmaceutical Sciences : Official Journal of the European Federation For Pharmaceutical Sciences. 17: 253-63. PMID 12453615 DOI: 10.1016/S0928-0987(02)00219-1  1
2002 Klopman G, Sedykh A. An MCASE approach to the search of a cure for Parkinson's Disease. Bmc Pharmacology. 2: 8. PMID 11926966 DOI: 10.1186/1471-2210-2-8  1
2001 Sedykh A, Saiakhov R, Klopman G. META V. A model of photodegradation for the prediction of photoproducts of chemicals under natural-like conditions. Chemosphere. 45: 971-81. PMID 11695620 DOI: 10.1016/S0045-6535(01)00007-8  1
2001 Klopman G, Zhu H. Estimation of the aqueous solubility of organic molecules by the group contribution approach. Journal of Chemical Information and Computer Sciences. 41: 439-45. PMID 11277734 DOI: 10.1021/ci000152d  1
2000 Grant SG, Zhang YP, Klopman G, Rosenkranz HS. Modeling the mouse lymphoma forward mutational assay: the Gene-Tox program database. Mutation Research. 465: 201-29. PMID 10708987  1
2000 Saiakhov RD, Stefan LR, Klopman G. Multiple computer-automated structure evaluation model of the plasma protein binding affinity of diverse drugs Perspectives in Drug Discovery and Design. 19: 133-155. DOI: 10.1023/A:1008723723679  1
2000 Klopman G, Saiakhov R, Rosenkranz HS. Multiple computer-automated structure evaluation study of aquatic toxicity II. Fathead minnow Environmental Toxicology and Chemistry. 19: 441-447.  1
1999 Pollack N, Cunningham AR, Klopman G, Rosenkranz HS. Chemical diversity approach for evaluating mechanistic relatedness among toxicological phenomena. Sar and Qsar in Environmental Research. 10: 533-43. PMID 10674291 DOI: 10.1080/10629369908033222  1
1999 Rosenkranz HS, Mersch-Sundermann V, Klopman G. SOS chromotest and mutagenicity in Salmonella: evidence for mechanistic differences. Mutation Research. 431: 31-8. PMID 10656484 DOI: 10.1016/S0027-5107(99)00155-4  1
1999 Gómez J, Macina OT, Mattison DR, Zhang YP, Klopman G, Rosenkranz HS. Structural determinants of developmental toxicity in hamsters. Teratology. 60: 190-205. PMID 10508972 DOI: 10.1002/(SICI)1096-9926(199910)60:4<190::AID-TERA3>3.0.CO;2-U  1
1999 Rosenkranz HS, Cunningham AR, Zhang YP, Claycamp HG, Macina OT, Sussman NB, Grant SG, Klopman G. Development, characterization and application of predictive-toxicology models. Sar and Qsar in Environmental Research. 10: 277-98. PMID 10491854 DOI: 10.1080/10629369908039181  1
1999 Rosenkranz HS, Cunningham AR, Zhang YP, Klopman G. Applications of the case/multicase SAR method to environmental and public health situations. Sar and Qsar in Environmental Research. 10: 263-76. PMID 10491853 DOI: 10.1080/10629369908039180  1
1999 Rosenkranz HS, Klopman G. The mysterious Mauritian red nectar: a selective toxicant? Die Naturwissenschaften. 86: 404-5. PMID 10481828 DOI: 10.1007/s001140050642  1
1999 Klopman G, Tu M. Diversity analysis of 14 156 molecules tested by the National Cancer Institute for anti-HIV activity using the quantitative structure-activity relational expert system MCASE. Journal of Medicinal Chemistry. 42: 992-8. PMID 10090782 DOI: 10.1021/jm980451i  1
1999 Zhu X, Zhang YP, Klopman G, Rosenkranz HS. Thalidomide and metabolites: indications of the absence of 'genotoxic' carcinogenic potentials. Mutation Research. 425: 153-67. PMID 10082926 DOI: 10.1016/S0027-5107(99)00035-4  1
1999 Rorije E, Loonen H, Müller M, Klopman G, Peijnenburg WJ. Evaluation and application of models for the prediction of ready biodegradability in the MITI-I test. Chemosphere. 38: 1409-17. PMID 10070729 DOI: 10.1016/S0045-6535(98)00543-8  1
1999 Rosenkranz HS, Klopman G, Zhang YP, Graham C, Karol MH. Relationship between allergic contact dermatitis and electrophilicity. Environmental Health Perspectives. 107: 129-32. PMID 9924008  1
1999 Klopman G, Saiakhov R, Rosenkranz HS, Hermens JLM. Multiple computer-automated structure evaluation program study of aquatic toxicity 1: Guppy Environmental Toxicology and Chemistry. 18: 2497-2505. DOI: 10.1002/etc.5620181116  1
1999 Klopman G, Tu M, Fan BT. META 4. Prediction of the metabolism of polycyclic aromatic hydrocarbons Theoretical Chemistry Accounts. 102: 33-38.  1
1998 Rosenkranz HS, Zhang YP, Klopman G. The Development and Characterisation of a Structure-activity Relationship Model of the Draize Eye Irritation Test. Alternatives to Laboratory Animals : Atla. 26: 779-809. PMID 26042582  1
1998 Rosenkranz HS, Zhang YP, Macina OT, Mattison DR, Klopman G. Human developmental toxicity and mutagenesis. Mutation Research. 422: 347-50. PMID 9838188 DOI: 10.1016/S0027-5107(98)00170-5  1
1998 Rosenkranz HS, Zhang YP, Klopman G. Studies on the potential for genotoxic carcinogenicity of fragrances and other chemicals. Food and Chemical Toxicology : An International Journal Published For the British Industrial Biological Research Association. 36: 687-96. PMID 9734719 DOI: 10.1016/S0278-6915(98)00031-3  1
1998 Cunningham AR, Klopman G, Rosenkranz HS. Identification of structural features and associated mechanisms of action for carcinogens in rats. Mutation Research. 405: 9-27. PMID 9729240 DOI: 10.1016/S0027-5107(98)00123-7  1
1998 Cunningham AR, Rosenkranz HS, Zhang YP, Klopman G. Identification of 'genotoxic' and 'non-genotoxic' alerts for cancer in mice: the carcinogenic potency database. Mutation Research. 398: 1-17. PMID 9626960 DOI: 10.1016/S0027-5107(97)00202-9  1
1998 Henry B, Grant SG, Klopman G, Rosenkranz HS. Induction of forward mutations at the thymidine kinase locus of mouse lymphoma cells: evidence for electrophilic and non-electrophilic mechanisms. Mutation Research. 397: 313-35. PMID 9541657 DOI: 10.1016/S0027-5107(97)00231-5  1
1998 Cunningham AR, Rosenkranz HS, Klopman G. Structural analysis of a group of phytoestrogens for the presence of a 2-D geometric descriptor associated with non-genotoxic carcinogens and some estrogens. Proceedings of the Society For Experimental Biology and Medicine. Society For Experimental Biology and Medicine (New York, N.Y.). 217: 288-92. PMID 9492337  1
1998 Klopman G. The MultiCASE program II. Baseline activity identification algorithm (BAIA). Journal of Chemical Information and Computer Sciences. 38: 78-81. PMID 9461645  1
1998 Rorije E, Peijnenburg WJGM, Klopman G. Structural requirements for anaerobic biodegradation of organic chemicals: A fragment model analysis Environmental Toxicology and Chemistry. 17: 1943-1950. DOI: 10.1897/1551-5028(1998)017<1943:SRFABO>2.3.CO;2  1
1998 Klopman G, Saiakhov R, Tu M, Pusca F, Rorije E. Computer-assisted evaluation of anaerobic biodegradation products Pure and Applied Chemistry. 70: 1385-1394.  1
1997 Venkataprasad N, Jacobs MR, Johnson JL, Klopman G, Ellner JJ. Activity of new quinolones against intracellular Mycobacterium avium in human monocytes. The Journal of Antimicrobial Chemotherapy. 40: 841-5. PMID 9462436 DOI: 10.1093/jac/40.6.841  1
1997 Rosenkranz M, Rosenkranz HS, Klopman G. Intercellular communication, tumor promotion and non-genotoxic carcinogenesis: relationships based upon structural considerations. Mutation Research. 381: 171-88. PMID 9434874 DOI: 10.1016/S0027-5107(97)00165-6  1
1997 Klopman G, Shi LM, Ramu A. Quantitative structure-activity relationship of multidrug resistance reversal agents. Molecular Pharmacology. 52: 323-34. PMID 9271356  1
1997 Labbauf A, Klopman G, Rosenkranz HS. Dichotomous relationship between DNA reactivity and the induction of sister chromatid exchanges in vivo and in vitro. Mutation Research. 377: 37-52. PMID 9219577 DOI: 10.1016/S0027-5107(97)00056-0  1
1997 Cunningham AR, Klopman G, Rosenkranz HS. A dichotomy in the lipophilicity of natural estrogens, xenoestrogens, and phytoestrogens. Environmental Health Perspectives. 105: 665-8. PMID 9168011  1
1997 Klopman G, Tu M, Talafous J. META. 3. A genetic algorithm for metabolic transform priorities optimization. Journal of Chemical Information and Computer Sciences. 37: 329-34. PMID 9157102  1
1997 Ghanooni M, Mattison DR, Zhang YP, Macina OT, Rosenkranz HS, Klopman G. Structural determinants associated with risk of human developmental toxicity. American Journal of Obstetrics and Gynecology. 176: 799-805; discussion . PMID 9125603  1
1997 Liu M, Grant SG, Macina OT, Klopman G, Rosenkranz HS. Structural and mechanistic bases for the induction of mitotic chromosomal loss and duplication ('malsegregation') in the yeast Saccharomyces cerevisiae: relevance to human carcinogenesis and developmental toxicology. Mutation Research. 374: 209-31. PMID 9100845 DOI: 10.1016/S0027-5107(96)00236-9  1
1997 Klopman G, Tu M. Structure-biodegradability study and computer-automated prediction of aerobic biodegradation of chemicals Environmental Toxicology and Chemistry. 16: 1829-1835. DOI: 10.1897/1551-5028(1997)016<1829:SBSACA>2.3.CO;2  1
1997 Zhang YP, Sussman N, Klopman G, Rosenkranz HS. Development of methods to ascertain the predictivity and consistency of SAR models: Application to the U.S. National toxicology program rodent carcinogenicity bioassays Quantitative Structure-Activity Relationships. 16: 290-295. DOI: 10.1002/qsar.19970160403  1
1997 Mersch-Sundermann V, Klopman G, Rosenkranz HS. V30. Analysen der struktur-aktivitätsbeziehungen (SAR/QSAR) von umweltchemikalien im hinblick auf ihre genetische toxizität mittels MULTICASE Zentralblatt Fur Hygiene Und Umweltmedizin. 199: 425.  1
1997 Macina OT, Klopman G, Rosenkranz HS. Structural basis of sensory irritation Inhalation Toxicology. 9: 465-476.  1
1997 Klopman G, Ding C, Macina OT. Computer aided olive oil-gas partition coefficient calculations Journal of Chemical Information and Computer Sciences. 37: 569-575.  1
1997 Zhang YP, Macina OT, Rosenkranz HS, Karol MH, Mattison DR, Klopman G. Prediction of the metabolism and toxicological profiles of gasoline oxygenates Inhalation Toxicology. 9: 237-254.  1
1997 Klopman G, Tu M, Talafous J. Programs, algorithm, data bases. META 3. A genetic algorithm for metabolic transform priorities optimization Quantitative Structure-Activity Relationships. 16: 358-360.  1
1996 Shiratsuchi H, Jacobs MR, Pearson AJ, Venkataprasad N, Klopman G, Ellner JJ. Comparison of the activity of fluoroquinolones against Mycobacterium avium in cell-free systems and a human monocyte in-vitro infection model. The Journal of Antimicrobial Chemotherapy. 37: 491-500. PMID 9182106 DOI: 10.1093/jac/37.3.491  1
1996 Liu M, Sussman N, Klopman G, Rosenkranz HS. Structure-activity and mechanistic relationships: the effect of chemical overlap on structural overlap in data bases of varying size and composition. Mutation Research. 372: 79-85. PMID 9003534 DOI: 10.1016/S0027-5107(96)00169-8  1
1996 Cunningham A, Klopman G, Rosenkranz HS. The carcinogenicity of diethylstilbestrol: structural evidence for a non-genotoxic mechanism. Archives of Toxicology. 70: 356-61. PMID 8975634 DOI: 10.1007/s002040050285  1
1996 Zhang YP, Sussman N, Macina OT, Rosenkranz HS, Klopman G. Prediction of the carcinogenicity of a second group of organic chemicals undergoing carcinogenicity testing. Environmental Health Perspectives. 104: 1045-50. PMID 8933053  1
1996 Liu M, Sussman N, Klopman G, Rosenkranz HS. Estimation of the optimal data base size for structure-activity analyses: the Salmonella mutagenicity data base. Mutation Research. 358: 63-72. PMID 8921976 DOI: 10.1016/0027-5107(96)00111-X  1
1996 Lee Y, Buchanan BG, Klopman G, Dimayuga M, Rosenkranz HS. The potential of organ specific toxicity for predicting rodent carcinogenicity. Mutation Research. 358: 37-62. PMID 8921975 DOI: 10.1016/0027-5107(96)00110-8  1
1996 Zeiger E, Ashby J, Bakale G, Enslein K, Klopman G, Rosenkranz HS. Prediction of Salmonella mutagenicity. Mutagenesis. 11: 471-84. PMID 8921509  1
1996 Klopman G, Fercu D, Renau TE, Jacobs MR. N-1-tert-butyl-substituted quinolones: in vitro anti-Mycobacterium avium activities and structure-activity relationship studies. Antimicrobial Agents and Chemotherapy. 40: 2637-43. PMID 8913479  1
1996 Rosenkranz HS, Klopman G. A study of the structural basis of the ability of chlorinated alkanes and alkenes to induce aneuploidy and toxicity in the mold Aspergillus nidulans. Mutation Research. 354: 183-93. PMID 8764947 DOI: 10.1016/0027-5107(96)00015-2  1
1996 Klopman G, Fercu D, Li JY, Rosenkranz HS, Jacobs MR. Antimycobacterial quinolones: a comparative analysis of structure-activity and structure-cytotoxicity relationships. Research in Microbiology. 147: 86-96. PMID 8761728 DOI: 10.1016/0923-2508(96)80209-9  1
1996 Rosenkranz HS, Liu M, Cunningham A, Klopman G. Application of structural concepts to evaluate the potential carcinogenicity of natural products. Sar and Qsar in Environmental Research. 5: 79-98. PMID 8751816 DOI: 10.1080/10629369608031709  1
1996 Mersch-Sundermann V, Klopman G, Rosenkranz HS. Chemical structure and genotoxicity: studies of the SOS chromotest. Mutation Research. 340: 81-91. PMID 8692184  1
1996 Rosenkranz HS, Cunningham A, Klopman G. Identification of a 2-D geometric descriptor associated with non-genotoxic carcinogens and some estrogens and antiestrogens. Mutagenesis. 11: 95-100. PMID 8671723  1
1996 Cunningham A, Klopman G, Rosenkranz HS. A study of the structural basis of the carcinogenicity of tamoxifen, toremifene and their metabolites. Mutation Research. 349: 85-94. PMID 8569795 DOI: 10.1016/0027-5107(95)00163-8  1
1996 Klopman G, Fercu D, Rosenkranz HS. The carcinogenic potential of dacthal and its metabolites Environmental Toxicology and Chemistry. 15: 80-84. DOI: 10.1897/1551-5028(1996)015<0080:TCPODA>2.3.CO;2  1
1996 Klopman G, Fercu D, Jacob J. Computer-aided study of the relationship between structure and antituberculosis activity of a series of isoniazid derivatives Chemical Physics. 204: 181-193. DOI: 10.1016/0301-0104(95)00415-7  1
1995 Rosenkranz HS, Zhang YP, Klopman G. Risk identification using structural concepts: the potential carcinogenicity of praziquantel. Regulatory Toxicology and Pharmacology : Rtp. 22: 152-61. PMID 8577950 DOI: 10.1006/rtph.1995.1080  1
1995 Rosenkranz HS, Klopman G. Relationships between electronegativity and genotoxicity. Mutation Research. 328: 215-27. PMID 7739605 DOI: 10.1016/0027-5107(95)00011-7  1
1995 Lee Y, Buchanan BG, Mattison DM, Klopman G, Rosenkranz HS. Learning rules to predict rodent carcinogenicity of non-genotoxic chemicals. Mutation Research. 328: 127-49. PMID 7739598 DOI: 10.1016/0027-5107(94)00202-G  1
1995 Klopman G, Zhang Z, Woodgate SD, Rosenkranz HS. The structure-toxicity relationship challenge at hazardous waste sites. Chemosphere. 31: 2511-9. PMID 7670863 DOI: 10.1016/0045-6535(95)00120-W  1
1995 Rosenkranz HS, Klopman G. An examination of the potential "genotoxic" carcinogenicity of a biopesticide derived from the neem tree. Environmental and Molecular Mutagenesis. 26: 255-60. PMID 7588652 DOI: 10.1002/em.2850260311  1
1995 Klopman G, Rosenkranz HS. Toxicity estimation by chemical substructure analysis: the TOX II program. Toxicology Letters. 79: 145-55. PMID 7570651 DOI: 10.1016/0378-4274(95)03366-S  1
1995 Klopman G, Li JY. Quantitative structure-agonist activity relationship of capsaicin analogues. Journal of Computer-Aided Molecular Design. 9: 283-94. PMID 7561979 DOI: 10.1007/BF00124458  1
1995 Buyukbingol E, Klopman G. A novel aldose reductase enzyme inhibitor, spirohydantoinylisatin-1-acetic acid derivative Farmaco. 50: 889-891.  1
1995 Klopman G, Zhang Z, Balthasar DM, Rosenkranz HS. Computer-automated predictions of aerobic biodegradation of chemicals Environmental Toxicology and Chemistry. 14: 395-403.  1
1994 De Flora S, Rosenkranz HS, Klopman G. Structural basis of antimutagenicity of chemicals towards 4-nitroquinoline 1-oxide in Salmonella typhimurium. Mutagenesis. 9: 39-45. PMID 8208129 DOI: 10.1093/mutage/9.1.39  1
1994 Zhang YP, Van Praagh A, Klopman G, Rosenkranz HS. Structural basis of the induction of unscheduled DNA synthesis in rat hepatocytes. Mutagenesis. 9: 141-9. PMID 8201947 DOI: 10.1093/mutage/9.2.141  1
1994 Büyükbingöl E, Da? N, Klopman G. Synthesis of 1,4-dihydro-4-oxo-quinoline-3-carboxylic acid derivatives as inhibitors of rat lens aldose reductase. Archiv Der Pharmazie. 327: 129-31. PMID 8179470 DOI: 10.1002/ardp.19943270302  1
1994 McGregor DB, Pangrekar J, Rosenkranz HS, Klopman G. A reexamination of the low prevalence of carcinogens in an early carcinogen screen. Regulatory Toxicology and Pharmacology : Rtp. 19: 97-105. PMID 8159818 DOI: 10.1006/rtph.1994.1008  1
1994 Büyükbingöl E, Süzen S, Klopman G. Studies on the synthesis and structure-activity relationships of 5-(3'-indolal)-2-thiohydantoin derivatives as aldose reductase enzyme inhibitors. Farmaco (Società Chimica Italiana : 1989). 49: 443-7. PMID 8074787  1
1994 Rosenkranz HS, Zhang YP, Klopman G. Evidence that cell toxicity may contribute to the genotoxic response. Regulatory Toxicology and Pharmacology : Rtp. 19: 176-82. PMID 8041915 DOI: 10.1006/rtph.1994.1016  1
1994 Talafous J, Sayre LM, Mieyal JJ, Klopman G. META. 2. A dictionary model of mammalian xenobiotic metabolism. Journal of Chemical Information and Computer Sciences. 34: 1326-33. PMID 7989398 DOI: 10.1021/ci00022a015  1
1994 Klopman G, Dimayuga M, Talafous J. META. 1. A program for the evaluation of metabolic transformation of chemicals. Journal of Chemical Information and Computer Sciences. 34: 1320-5. PMID 7989397  1
1994 Wang S, Milne GW, Klopman G. Graph theory and group contributions in the estimation of boiling points. Journal of Chemical Information and Computer Sciences. 34: 1242-50. PMID 7989396  1
1994 Klopman G, Li JY, Wang S, Pearson AJ, Chang K, Jacobs MR, Bajaksouzian S, Ellner JJ. In vitro anti-Mycobacterium avium activities of quinolones: predicted active structures and mechanistic considerations. Antimicrobial Agents and Chemotherapy. 38: 1794-802. PMID 7986010  1
1994 Takihi N, Rosenkranz HS, Klopman G, Mattison DR. Structural determinants of developmental toxicity. Risk Analysis : An Official Publication of the Society For Risk Analysis. 14: 649-57. PMID 7972965  1
1994 Mersch-Sundermann V, Schneider U, Klopman G, Rosenkranz HS. SOS induction in Escherichia coli and Salmonella mutagenicity: a comparison using 330 compounds. Mutagenesis. 9: 205-24. PMID 7934961 DOI: 10.1093/mutage/9.3.205  1
1994 Skinner PS, Furney SK, Jacobs MR, Klopman G, Ellner JJ, Orme IM. A bone marrow-derived murine macrophage model for evaluating efficacy of antimycobacterial drugs under relevant physiological conditions. Antimicrobial Agents and Chemotherapy. 38: 2557-63. PMID 7872747 DOI: 10.1128/AAC.38.11.2557  1
1994 Sakai T, Klopman G, Rosenkranz HS. Structural basis for the induction of preneoplastic glutathione S-transferase positive foci by hepatocarcinogens. Teratogenesis, Carcinogenesis, and Mutagenesis. 14: 219-37. PMID 7855742 DOI: 10.1002/tcm.1770140504  1
1994 Talafous J, Marcinowski KJ, Klopman G, Zagorski MG. Solution structure of residues 1-28 of the amyloid beta-peptide. Biochemistry. 33: 7788-96. PMID 7516706  1
1994 Rosenkranz HS, Klopman G. Structural implications of the ICPEMC method for quantifying genotoxicity data. Mutation Research. 305: 99-116. PMID 7508550 DOI: 10.1016/0027-5107(94)90128-7  1
1994 Klopman G, Rosenkranz HS. International Commission for Protection Against Environmental Mutagens and Carcinogens. Approaches to SAR in carcinogenesis and mutagenesis. Prediction of carcinogenicity/mutagenicity using MULTI-CASE. Mutation Research. 305: 33-46. PMID 7508546 DOI: 10.1016/0027-5107(94)90124-4  1
1994 Mersch-Sundermann V, Rosenkranz HS, Klopman G. The structural basis of the genotoxicity of nitroarenofurans and related compounds. Mutation Research. 304: 271-84. PMID 7506371 DOI: 10.1016/0027-5107(94)90220-8  1
1994 Pangrekar J, Klopman G, Rosenkranz HS. Expert-system comparison of structural determinants of chemical toxicity to environmental bacteria Environmental Toxicology and Chemistry. 13: 979-1001.  1
1993 Rosenkranz HS, Klopman G. Structural relationships between mutagenicity, maximum tolerated dose, and carcinogenicity in rodents. Environmental and Molecular Mutagenesis. 21: 193-206. PMID 8444146  1
1993 Zhang YP, Klopman G, Rosenkranz HS. Structural basis of the mutagenicity of heterocyclic amines formed during the cooking processes. Environmental and Molecular Mutagenesis. 21: 100-15. PMID 8419150 DOI: 10.1002/em.2850210114  1
1993 Klopman G, Ptchelintsev D. Antifungal triazole alcohols: a comparative analysis of structure-activity, structure-teratogenicity and structure-therapeutic index relationships using the Multiple Computer-Automated Structure Evaluation (Multi-CASE) methodology. Journal of Computer-Aided Molecular Design. 7: 349-62. PMID 8377029 DOI: 10.1007/BF00125508  1
1993 Takihi N, Zhang YP, Klopman G, Rosenkranz HS. An approach for evaluating and increasing the informational content of mutagenicity and clastogenicity data bases. Mutagenesis. 8: 257-64. PMID 8332089 DOI: 10.1093/mutage/8.3.257  1
1993 Klopman G, Wang S, Jacobs MR, Ellner JJ. Anti-Mycobacterium avium activity of quinolones: structure-activity relationship studies. Antimicrobial Agents and Chemotherapy. 37: 1807-15. PMID 8239588  1
1993 Klopman G, Wang S, Jacobs MR, Bajaksouzian S, Edmonds K, Ellner JJ. Anti-Mycobacterium avium activity of quinolones: in vitro activities. Antimicrobial Agents and Chemotherapy. 37: 1799-806. PMID 8239587  1
1993 Takihi N, Zhang YP, Klopman G, Rosenkranz HS. Development of a method to assess the informational content of structure-activity data bases. Quality Assurance (San Diego, Calif.). 2: 255-64. PMID 8137086  1
1993 Rosenkranz HS, Klopman G. Predictions based upon the CASE structure-activity relational method are independent of the nature of the chemicals in the data base. Quality Assurance (San Diego, Calif.). 2: 251-4. PMID 8137085  1
1993 Takihi N, Rosenkranz HS, Klopman G. Identification of chemicals for testing in the rodent cancer bioassay. Quality Assurance (San Diego, Calif.). 2: 232-43. PMID 8137083  1
1993 Rosenkranz HS, Klopman G. Structural evidence for a dichotomy in rodent carcinogenesis: involvement of genetic and cellular toxicity. Mutation Research. 303: 83-9. PMID 7692282 DOI: 10.1016/0165-7992(93)90099-H  1
1993 Rosenkranz HS, Matthews EJ, Klopman G. Commonalities in the structural determinants of toxicity in fish and mammals. Ecotoxicology and Environmental Safety. 25: 296-9. PMID 7691523 DOI: 10.1006/eesa.1993.1027  1
1993 Rosenkranz HS, Klopman G. A dichotomy between lipophilicity and in vivo and in vitro genotoxicity. Mutation Research. 291: 135-9. PMID 7680417 DOI: 10.1016/0165-1161(93)90152-P  1
1993 Klopman G, Li JY, Wang S, Dimayuga M. Computer automated log P calculations based on an extended group contribution approach Journal of Chemical Information and Computer Sciences. 33: 752-781.  1
1993 Klopman G, Balthasar DM, Rosenkranz HS. Application of the computer-automated structure evaluation (CASE) program to the study of structure-biodegradation relationships of miscellaneous chemicals Environmental Toxicology and Chemistry. 12: 231-240.  1
1992 Klopman G, Srivastava S, Kolossvary I, Epand RF, Ahmed N, Epand RM. Structure-activity study and design of multidrug-resistant reversal compounds by a computer automated structure evaluation methodology. Cancer Research. 52: 4121-9. PMID 1638525  1
1992 Mersch-Sundermann V, Rosenkranz HS, Klopman G. Structural basis of the genotoxicity of polycyclic aromatic hydrocarbons. Mutagenesis. 7: 211-8. PMID 1602977 DOI: 10.1093/mutage/7.3.211  1
1992 Rosenkranz HS, Klopman G. A structural analysis of the genotoxic and carcinogenic potentials of cyclosporin A. Mutagenesis. 7: 115-8. PMID 1579066 DOI: 10.1093/mutage/7.2.115  1
1992 Klopman G, Wang S, Balthasar DM. Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation. Journal of Chemical Information and Computer Sciences. 32: 474-82. PMID 1400663  1
1992 Yang WL, Klopman G, Rosenkranz HS. Structural basis of the in vivo induction of micronuclei. Mutation Research. 272: 111-24. PMID 1383743 DOI: 10.1016/0165-1161(92)90039-O  1
1992 Rosenkranz HS, Klopman G. 1,4-Dioxane: prediction of in vivo clastogenicity. Mutation Research. 280: 245-51. PMID 1382225 DOI: 10.1016/0165-1218(92)90054-4  1
1992 Klopman G, Rosenkranz HS. Testing by artificial intelligence: computational alternatives to the determination of mutagenicity. Mutation Research. 272: 59-71. PMID 1380119 DOI: 10.1016/0165-1161(92)90008-A  1
1992 Rosenkranz HS, Klopman G. Decreased electrophilicity of chemicals carcinogenic only at the maximum tolerated dose. Mutation Research. 282: 241-6. PMID 1379685 DOI: 10.1016/0165-7992(92)90129-6  1
1992 Mersch-Sundermann V, Klopman G, Rosenkranz HS. Structural requirements for the induction of the SOS repair in bacteria by nitrated polycyclic aromatic hydrocarbons and related chemicals. Mutation Research. 265: 61-73. PMID 1370243 DOI: 10.1016/0027-5107(92)90039-5  1
1992 Klopman G. MULTICASE. 1. A hierarchical computer automated structure evaluation program Quantitative Structure-Activity Relationships. 11: 176-184. DOI: 10.1002/qsar.19920110208  1
1992 Klopman G, Ptchelintsev D. Application of the computer automated structure evaluation methodology to a QSAR study of chemoreception. Aromatic musky odorants Journal of Agricultural and Food Chemistry®. 40: 2244-2251.  1
1991 Rosenkranz HS, Klopman G. A re-examination of the genotoxicity and carcinogenicity of azathioprine. Mutation Research. 251: 157-61; discussion 1. PMID 1944373 DOI: 10.1016/0027-5107(91)90225-D  1
1991 Rosenkranz HS, Zhang YP, Klopman G. Implications of newly recognized relationships between mutagenicity, genotoxicity and carcinogenicity of molecules Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis. 250: 25-33. PMID 1944342 DOI: 10.1016/0027-5107(91)90159-L  1
1991 Klopman G, Rosenkranz H. Structure-activity relations: maximizing the usefulness of mutagenicity and carcinogenicity databases. Environmental Health Perspectives. 96: 67-75. PMID 1820281  1
1991 Rosenkranz HS, Takihi N, Klopman G. Structure activity-based predictive toxicology: An efficient and economical method for generating non-congeneric data bases Mutagenesis. 6: 391-394. PMID 1795644 DOI: 10.1093/mutage/6.5.391  1
1991 Rosenkranz HS, Klopman G. Omeprazole: An exploration of its reported genotoxicity Mutagenesis. 6: 381-384. PMID 1795642 DOI: 10.1093/mutage/6.5.381  1
1991 Klopman G, Rosenkranz HS. Quantification of the predictivity of some short-term assays for carcinogenicity in rodents. Mutation Research. 253: 237-40. PMID 1720198 DOI: 10.1016/0165-1161(91)90136-V  1
1991 Rannug U, Sjögren M, Rannug A, Gillner M, Toftgård R, Gustafsson JA, Rosenkranz H, Klopman G. Use of artificial intelligence in structure-affinity correlations of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) receptor ligands Carcinogenesis. 12: 2007-2015. PMID 1657432  1
1991 Klopman G, Henderson RV. A graph theory-based "expert system" methodology for structure-activity studies Journal of Mathematical Chemistry. 7: 187-216. DOI: 10.1007/BF01200823  1
1991 Buyukbingol E, Klopman G. A new proposed model of aldose reductase enzyme inhibition on the basis of an artificial intelligence approach: A computer automated structure evaluation (case) study Journal of Mathematical Chemistry. 8: 195-205. DOI: 10.1007/BF01166936  1
1991 Klopman G. Earlier light [19] Nature. 349: 112.  1
1990 Rosenkranz HS, Klopman G. The structural basis of the mutagenicity of chemicals in Salmonella typhimirium: The National Toxicology Program data base Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis. 228: 51-80. PMID 2405260 DOI: 10.1016/0027-5107(90)90014-U  1
1990 Rosenkranz HS, Klopman G. Structural alerts to genotoxicity: The interaction of human and artificial intelligence Mutagenesis. 5: 333-362. PMID 2398817 DOI: 10.1093/mutage/5.4.333  1
1990 Rosenkranz HS, Klopman G. The structural basis of the carcinogenic and mutagenic potentials of phytoalexins Mutation Research Letters. 245: 51-54. PMID 2392129 DOI: 10.1016/0165-7992(90)90025-F  1
1990 Rosenkranz HS, Klopman G. Novel structural concepts in elucidating the potential genotoxicity and carcinogenicity of tetrandrine, a traditional herbal drug Mutation Research Letters. 244: 265-271. PMID 2385241 DOI: 10.1016/0165-7992(90)90071-Q  1
1990 Rosenkranz HS, Klopman G. The carcinogenic potential of cocaine Cancer Letters. 52: 243-246. PMID 2379147 DOI: 10.1016/0304-3835(90)90193-2  1
1990 McCoy GD, Rosenkranz HS, Klopman G. Non-mutagenic carcinogens are primarily hydrophobic Carcinogenesis. 11: 1111-1117. PMID 2372870  1
1990 Klopman G, Srivastava S. Computer-automated structure evaluation of gastric antiulcer compounds: Study of cytoprotective and antisecretory imidazo[1,2-a]pyridines and -pyrazines Molecular Pharmacology. 37: 958-965. PMID 2359407  1
1990 Rosenkranz HS, Klopman G, Ohshima H, Bartsch H. Structural basis of the genotoxicity of nitrosatable phenols and derivatives present in smoked food products Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis. 230: 9-27. PMID 2342501 DOI: 10.1016/0027-5107(90)90037-5  1
1990 Klopman G, Raychaudhury C. Vertex indices of molecular graphs in structure-activity relationships: A study of the convulsant-anticonvulsant activity of barbiturates and the carcinogenicity of unsubstituted polycyclic aromatic hydrocarbons Journal of Chemical Information and Computer Sciences. 30: 12-19. PMID 2312623  1
1990 Rosenkranz HS, Klopman G. Natural pesticides present in edible plants are predicted to be carcinogenic Carcinogenesis. 11: 349-353. PMID 2302762  1
1990 Rosenkranz HS, Klopman G. Structural basis of carcinogenicity in rodents of genotoxicants and non-genotoxicants Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis. 228: 105-124. PMID 2300064 DOI: 10.1016/0027-5107(90)90067-E  1
1990 Rosenkranz HS, Klopman G. Methapyrilene: DNA as a possible target Mutation Research Letters. 245: 239-243. PMID 2266976 DOI: 10.1016/0165-7992(90)90152-A  1
1990 Rosenkranz HS, Ennever FK, Klopman G. Relationship between carcinogenicity in rodents and the induction of sister chromatid exchanges and chromosomal aberrations in Chinese hamster ovary cells Mutagenesis. 5: 559-571. PMID 2263214 DOI: 10.1093/mutage/5.6.559  1
1990 Rosenkranz HS, Klopman G. Evaluating the ability of case, an artificial intelligence structure-activity relational system, to predict structural alerts for genotoxicity Mutagenesis. 5: 525-527. PMID 2263211 DOI: 10.1093/mutage/5.6.525  1
1990 Rosenkranz HS, Klopman G. Prediction of the carcinogenicity in rodents of chemicals currently being tested by the US national toxicology program: Structure-activity correlations Mutagenesis. 5: 425-432. PMID 2263200 DOI: 10.1093/mutage/5.5.425  1
1990 Rosenkranz HS, Klopman G. Use of a composite polyfunction model electrophile as a probe to analyze the performance of an artificial intelligence stucture-activity method Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis. 232: 249-260. PMID 2215535 DOI: 10.1016/0027-5107(90)90131-M  1
1990 Klopman G, Dimayuga ML. Computer Automated Structure Evaluation (CASE) of the teratogenicity of retinoids with the aid of a novel geometry index Journal of Computer-Aided Molecular Design. 4: 117-130. PMID 2213060 DOI: 10.1007/BF00125314  1
1990 Rosenkranz HS, Ennever FK, Dimayuga M, Klopman G. Significant differences in the structural basis of the induction of sister chromatid exchanges and chromosomal aberrations in Chinese hamster ovary cells Environmental and Molecular Mutagenesis. 16: 149-177. PMID 2209572 DOI: 10.1002/em.2850160304  1
1990 Rosenkranz HS, Klopman G. Identification of rodent carcinogens by an expert system Progress in Clinical and Biological Research. 340: 23-48. PMID 2203007  1
1990 Rosenkranz HS, Klopman G. 'Cryptic' mutagens and carcinogenicity Mutagenesis. 5: 199-202. PMID 2188075  1
1990 Rosenkranz HS, Klopman G. Structural basis of the mutagenicity of 1-amino-2-naphthol-based azo dyes Mutagenesis. 5: 137-146. PMID 2188065  1
1990 Rosenkranz HS, Klopman G. New structural concepts for predicting carcinogenicity in rodents: An artificial intelligence approach Teratogenesis Carcinogenesis and Mutagenesis. 10: 73-88. PMID 1973857  1
1990 Klopman G, Kolossvary I. Evaluation of quantitative structure-activity predictions. Comparison of the predictive power of an artificial intelligence system with human experts Journal of Mathematical Chemistry. 5: 389-407. DOI: 10.1007/BF01164858  1
1989 Rosenkranz HS, Klopman G. Mechanistic insights gained from an analysis of carcinogenic polycyclic aromatic hydrocarbons with the Computer Automated Structure Evaluation System Journal of the American College of Toxicology. 8: 1091-1101.  1
1985 Klopman G, Contreras R, Rosenkranz HS, Waters MD. Structure-genotoxic activity relationships of pesticides: comparison of the results from several short-term assays. Mutation Research. 147: 343-56. PMID 3932848  1
1985 McCoy EC, Holloway M, Frierson M, Klopman G, Mermelstein R, Rosenkranz HS. Genetic and quantum chemical basis of the mutagenicity of nitroarenes for adenine-thymine base pairs Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis. 149: 311-319. PMID 3887141 DOI: 10.1016/0027-5107(85)90146-0  1
1985 Klopman G, Contreras R. Use of artificial intelligence in structure-activity correlations of anticonvulsant drugs. Molecular Pharmacology. 27: 86-93. PMID 3838106  1
1984 Rosenkranz HS, Klopman G, Chankong V, Pet-Edwards J, Haimes YY. Prediction of environmental carcinogens: a strategy for the mid-1980s. Environmental Mutagenesis. 6: 231-58. PMID 6546717 DOI: 10.1002/em.2860060212  1
1980 Kikuchi O, Hopfinger AJ, Klopman G. Chemical reactivity of protonated aziridine with nucleophilic centers of DNA bases. Biopolymers. 19: 325-40. PMID 7370400 DOI: 10.1002/bip.1980.360190210  1
1980 Pearlstein RA, Tripathy SK, Potenzone R, Malhotra D, Hopfinger AJ, Klopman G, Max N. Physical association of two simple alkylators to some DNA sequences. Biopolymers. 19: 311-24. PMID 7370399 DOI: 10.1002/bip.1980.360190209  1
1967 Klopman G, Hudson RF. Polyelectronic perturbation treatment of chemical reactivity Theoretica Chimica Acta. 8: 165-174. DOI: 10.1007/BF00526373  1
1965 Chopard PA, Hudson RF, Klopman G. 241. Nucleophilic reactivity. Part VI. The reaction between triphenylphosphine and α-halogenated ketones Journal of the Chemical Society (Resumed). 1379-1386. DOI: 10.1039/JR9650001379  1
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