| 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 |
0.338 |
|
| 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 |
0.394 |
|
| 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 |
0.38 |
|
| 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 |
0.352 |
|
| 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 |
0.779 |
|
| 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 |
0.407 |
|
| 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 |
0.77 |
|
| 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 |
0.318 |
|
| 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 DOI: 10.2174/1389557053402765 |
0.472 |
|
| 2005 |
Zhu H, Sedykh A, Chakravarti S, Klopman G. A New Group Contribution Approach to the Calculation of LogP Current Computer Aided-Drug Design. 1: 3-9. DOI: 10.2174/1573409052952323 |
0.502 |
|
| 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 |
0.528 |
|
| 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 |
0.504 |
|
| 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 |
0.461 |
|
| 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 |
0.351 |
|
| 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: 10.1002/Etc.5620220302 |
0.669 |
|
| 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 |
0.323 |
|
| 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 |
0.37 |
|
| 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 |
0.781 |
|
| 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 |
0.741 |
|
| 2001 |
Damborský J, Rorije E, Jesenská A, Nagata Y, Klopman G, Peijnenburg WJ. Structure-specificity relationships for haloalkane dehalogenases. Environmental Toxicology and Chemistry / Setac. 20: 2681-9. PMID 11764149 DOI: 10.1002/Etc.5620201205 |
0.439 |
|
| 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 |
0.769 |
|
| 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 |
0.486 |
|
| 2001 |
Klopman G, Zhu H. Estimation of the Aqueous Solubility of Organic Molecules by the Group Contribution Approach J. Chem. Inf. Comput. Sci. 41, 439−455 (2001) Journal of Chemical Information and Computer Sciences. 41: 1096-1097. DOI: 10.1021/Ci010048B |
0.404 |
|
| 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 DOI: 10.1016/S1383-5718(99)00186-2 |
0.324 |
|
| 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 |
0.769 |
|
| 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. DOI: 10.1002/Etc.5620190225 |
0.39 |
|
| 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 |
0.381 |
|
| 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 |
0.337 |
|
| 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 |
0.323 |
|
| 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 |
0.382 |
|
| 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 |
0.307 |
|
| 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 |
0.393 |
|
| 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 |
0.407 |
|
| 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 |
0.381 |
|
| 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 DOI: 10.1289/Ehp.99107129 |
0.36 |
|
| 1999 |
Klopman G, Tu M, Fan BT. META 4. Prediction of the metabolism of polycyclic aromatic hydrocarbons Theoretical Chemistry Accounts. 102: 33-38. DOI: 10.1007/S002140050470 |
0.357 |
|
| 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 |
0.423 |
|
| 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 |
0.431 |
|
| 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 |
0.321 |
|
| 1998 |
Klopman G. The MultiCASE program II. Baseline activity identification algorithm (BAIA). Journal of Chemical Information and Computer Sciences. 38: 78-81. PMID 9461645 DOI: 10.1021/Ci9700790 |
0.31 |
|
| 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. DOI: 10.1351/Pac199870071385 |
0.375 |
|
| 1998 |
Rorije E, Peijnenburg WJ, Klopman G. Structural requirements for anaerobic biodegradation of organic chemicals: A fragment model analysis Environmental Toxicology and Chemistry. 17: 1943-1950. DOI: 10.1002/Etc.5620171008 |
0.439 |
|
| 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 |
0.33 |
|
| 1997 |
Klopman G, Shi LM, Ramu A. Quantitative structure-activity relationship of multidrug resistance reversal agents. Molecular Pharmacology. 52: 323-34. PMID 9271356 DOI: 10.1124/Mol.52.2.323 |
0.34 |
|
| 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 DOI: 10.1021/Ci9601123 |
0.757 |
|
| 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 DOI: 10.1016/S0002-9378(97)70603-3 |
0.37 |
|
| 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 |
0.318 |
|
| 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. DOI: 10.1080/089583797198231 |
0.353 |
|
| 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. DOI: 10.1021/Ci960140L |
0.37 |
|
| 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 |
0.424 |
|
| 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: 10.1002/Etc.5620160910 |
0.366 |
|
| 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. |
0.753 |
|
| 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 |
0.403 |
|
| 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 |
0.312 |
|
| 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 DOI: 10.1289/Ehp.96104S51045 |
0.407 |
|
| 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 |
0.372 |
|
| 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 |
0.324 |
|
| 1996 |
Zeiger E, Ashby J, Bakale G, Enslein K, Klopman G, Rosenkranz HS. Prediction of Salmonella mutagenicity. Mutagenesis. 11: 471-84. PMID 8921509 DOI: 10.1093/Mutage/11.5.471 |
0.364 |
|
| 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 |
0.341 |
|
| 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 |
0.345 |
|
| 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 |
0.391 |
|
| 1996 |
Mersch-Sundermann V, Klopman G, Rosenkranz HS. Chemical structure and genotoxicity: studies of the SOS chromotest. Mutation Research. 340: 81-91. PMID 8692184 DOI: 10.1016/S0165-1110(96)90041-X |
0.369 |
|
| 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 |
0.401 |
|
| 1996 |
Mersch-Sundermann V, Rosenkranz H, Klopman G. Mechanistic insights gained from an analysis using an artificial intelligence system for the examination of structure-activity relationships of genotoxic chemicals Mutation Research/Environmental Mutagenesis and Related Subjects. 360: 217-218. DOI: 10.1016/S0165-1161(96)90049-7 |
0.358 |
|
| 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 |
0.324 |
|
| 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 |
0.331 |
|
| 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 |
0.388 |
|
| 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 |
0.311 |
|
| 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 |
0.344 |
|
| 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 |
0.393 |
|
| 1995 |
Klopman G, Zhang Z, Balthasar DM, Rosenkranz HS. Computer-automated predictions of aerobic biodegradation of chemicals Environmental Toxicology and Chemistry. 14: 395-403. DOI: 10.1002/Etc.5620140307 |
0.426 |
|
| 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 |
0.367 |
|
| 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 |
0.384 |
|
| 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 |
0.787 |
|
| 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 DOI: 10.1021/Ci00022A014 |
0.764 |
|
| 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 DOI: 10.1021/Ci00022A004 |
0.49 |
|
| 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 DOI: 10.1128/Aac.38.8.1794 |
0.525 |
|
| 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 DOI: 10.1111/J.1539-6924.1994.Tb00278.X |
0.4 |
|
| 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 |
0.359 |
|
| 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 |
0.31 |
|
| 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 |
0.363 |
|
| 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 DOI: 10.1021/Bi00191A006 |
0.74 |
|
| 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 |
0.373 |
|
| 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 |
0.359 |
|
| 1994 |
Klopman G, Fercu D. Application of the multiple computer automated structure evaluation methodology to a quantitative structure-activity relationship study of acidity Journal of Computational Chemistry. 15: 1041-1050. DOI: 10.1002/Jcc.540150911 |
0.37 |
|
| 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. DOI: 10.1002/Etc.5620130617 |
0.388 |
|
| 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 DOI: 10.1002/Em.2850210212 |
0.365 |
|
| 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 |
0.404 |
|
| 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 |
0.383 |
|
| 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 |
0.36 |
|
| 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 DOI: 10.1128/Aac.37.9.1807 |
0.465 |
|
| 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 DOI: 10.1128/Aac.37.9.1799 |
0.415 |
|
| 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 |
0.305 |
|
| 1993 |
Rosenkranz HS, Pangrekar J, Klopman G. Similarities in the Mechanisms of Antibacterial Activity (Microtox™ Assay) and Toxicity to Vertebrates Alternatives to Laboratory Animals. 21: 489-500. DOI: 10.1177/026119299302100412 |
0.354 |
|
| 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. DOI: 10.1021/Ci00020A009 |
0.431 |
|
| 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. DOI: 10.1002/Etc.5620120206 |
0.447 |
|
| 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 |
0.399 |
|
| 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 |
0.408 |
|
| 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 DOI: 10.1021/Ci00009A013 |
0.512 |
|
| 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 |
0.399 |
|
| 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 |
0.314 |
|
| 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 |
0.386 |
|
| 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 |
0.3 |
|
| 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 |
0.41 |
|
| 1992 |
Rosenkranz HS, Matthews EJ, Klopman G. Relationships between Cellular Toxicity, the Maximum Tolerated Dose, Lipophilicity and Electrophilicity Alternatives to Laboratory Animals. 20: 549-562. DOI: 10.1177/026119299202000407 |
0.337 |
|
| 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. DOI: 10.1021/Jf00023A038 |
0.354 |
|
| 1992 |
Klopman G. MULTICASE. 1. A hierarchical computer automated structure evaluation program Quantitative Structure-Activity Relationships. 11: 176-184. DOI: 10.1002/Qsar.19920110208 |
0.396 |
|
| 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 |
0.347 |
|
| 1991 |
Klopman G, Rosenkranz H. Structure-activity relations: maximizing the usefulness of mutagenicity and carcinogenicity databases. Environmental Health Perspectives. 96: 67-75. PMID 1820281 DOI: 10.1289/Ehp.919667 |
0.394 |
|
| 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 |
0.411 |
|
| 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 |
0.318 |
|
| 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 DOI: 10.1093/Carcin/12.11.2007 |
0.324 |
|
| 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 |
0.377 |
|
| 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 |
0.338 |
|
| 1991 |
Klopman G, Wang S. A computer automated structure evaluation (CASE) approach to calculation of partition coefficient Journal of Computational Chemistry. 12: 1025-1032. DOI: 10.1002/Jcc.540120815 |
0.497 |
|
| 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 |
0.307 |
|
| 1990 |
Klopman G, Frierson MR, Rosenkranz HS. The structural basis of the mutagenicity of chemicals in Salmonella typhimurium: the Gene-Tox data base. Mutation Research. 228: 1-50. PMID 2405259 DOI: 10.1016/0027-5107(90)90013-T |
0.419 |
|
| 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 |
0.382 |
|
| 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 |
0.35 |
|
| 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 |
0.364 |
|
| 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 |
0.362 |
|
| 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 DOI: 10.1021/Ci00065A004 |
0.31 |
|
| 1990 |
Rosenkranz HS, Klopman G. Natural pesticides present in edible plants are predicted to be carcinogenic Carcinogenesis. 11: 349-353. PMID 2302762 DOI: 10.1093/Carcin/11.2.349 |
0.363 |
|
| 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 |
0.408 |
|
| 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 |
0.334 |
|
| 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 |
0.399 |
|
| 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 |
0.403 |
|
| 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 |
0.402 |
|
| 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 |
0.327 |
|
| 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 |
0.358 |
|
| 1990 |
Rosenkranz HS, Klopman G. 'Cryptic' mutagens and carcinogenicity Mutagenesis. 5: 199-202. PMID 2188075 DOI: 10.1093/Mutage/5.2.199 |
0.352 |
|
| 1990 |
Rosenkranz HS, Klopman G. Structural basis of the mutagenicity of 1-amino-2-naphthol-based azo dyes Mutagenesis. 5: 137-146. PMID 2188065 DOI: 10.1093/Mutage/5.2.137 |
0.391 |
|
| 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 DOI: 10.1002/Tcm.1770100204 |
0.416 |
|
| 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 |
0.432 |
|
| 1989 |
Rosenkranz HS, Klopman G. Structural basis of the mutagenicity of phenylazoaniline dyes. Mutation Research. 221: 217-34. PMID 2811918 DOI: 10.1016/0165-1110(89)90037-7 |
0.363 |
|
| 1989 |
Klopman G, Bendale RD. Computer automated structure evaluation (CASE): a study of inhibitors of the thermolysin enzyme. Journal of Theoretical Biology. 136: 67-77. PMID 2779261 DOI: 10.1016/S0022-5193(89)80190-0 |
0.369 |
|
| 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. DOI: 10.3109/10915818909018069 |
0.391 |
|
| 1988 |
Rosenkranz HS, Klopman G. CASE, the computer-automated structure evaluation method, correctly predicts the low mutagenicity for Salmonella of nitrated cyclopenta-fused polycyclic aromatic hydrocarbons. Mutation Research. 199: 95-101. PMID 3283547 DOI: 10.1016/0027-5107(88)90234-5 |
0.363 |
|
| 1988 |
Rosenkranz HS, Klopman G. CASE, the computer-automated structure evaluation system, as an alternative to extensive animal testing. Toxicology and Industrial Health. 4: 533-40. PMID 3188049 DOI: 10.1177/074823378800400411 |
0.366 |
|
| 1988 |
Rosenkranz HS, Frierson MR, Klopman G. Computer-automated prediction of the mutagenicity of benzidine, 4,4"-diaminoterphenyl, 4-dimethylaminoazobenzene and 4-cyanodimethylaniline: comparison with the results of the Second UKEMS Collaborative Study. Mutagenesis. 1: 275-82. PMID 3137412 DOI: 10.1093/Mutage/1.4.275 |
0.371 |
|
| 1988 |
Klopman G, Macina OT, Levinson ME, Rosenkranz HS. Computer automated structure evaluation of quinolone antibacterial agents. Antimicrobial Agents and Chemotherapy. 31: 1831-40. PMID 2829716 DOI: 10.1128/Aac.31.11.1831 |
0.358 |
|
| 1988 |
Klopman G, Raychaudhury C, Henderson R. A new approach to structure-activity using distance information content of graph vertices : A study with phenylalkylamines Mathematical and Computer Modelling. 11: 635-640. DOI: 10.1016/0895-7177(88)90570-5 |
0.36 |
|
| 1988 |
Klopman G, Raychaudhury C. A novel approach to the use of graph theory in structure-activity relationship studies. Application to the qualitative evaluation of mutagenicity in a series of nonfused ring aromatic compounds Journal of Computational Chemistry. 9: 232-243. DOI: 10.1002/Jcc.540090307 |
0.347 |
|
| 1986 |
Klopman G, Kalos A, Frierson M, Rosenkranz HS. NPPD (spy dust) is predicted to be a mutagen. Environmental Mutagenesis. 8: 627-30. PMID 3525138 DOI: 10.1002/Em.2860080413 |
0.401 |
|
| 1986 |
Frierson MR, Klopman G, Rosenkranz HS. Structure-activity relationships (SARs) among mutagens and carcinogens: a review. Environmental Mutagenesis. 8: 283-327. PMID 3516674 DOI: 10.1002/Em.2860080210 |
0.371 |
|
| 1986 |
Klopman G, Kalos AN. Quantitative structure-activity relationships of beta-adrenergic agents. Application of the computer automated structure evaluation (CASE) technique of molecular fragment recognition. Journal of Theoretical Biology. 118: 199-214. PMID 2872368 DOI: 10.1016/S0022-5193(86)80134-5 |
0.323 |
|
| 1986 |
Klopman G, Macina OT, Simon EJ, Hiller JM. Computer automated structure evaluation of opiate alkaloids Journal of Molecular Structure: Theochem. 134: 299-308. DOI: 10.1016/0166-1280(86)80002-1 |
0.36 |
|
| 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 DOI: 10.1016/0165-1161(85)90003-2 |
0.575 |
|
| 1985 |
Klopman G, Frierson MR, Rosenkranz HS. Computer analysis of toxicological data bases: mutagenicity of aromatic amines in Salmonella tester strains. Environmental Mutagenesis. 7: 625-44. PMID 3899629 DOI: 10.1002/Em.2860070503 |
0.402 |
|
| 1985 |
Rosenkranz HS, Mitchell CS, Klopman G. Artificial intelligence and Bayesian decision theory in the prediction of chemical carcinogens. Mutation Research. 150: 1-11. PMID 3889611 DOI: 10.1016/0027-5107(85)90095-8 |
0.364 |
|
| 1985 |
Klopman G, Macina OT. Use of the Computer Automated Structure Evaluation program in determining quantitative structure-activity relationships within hallucinogenic phenylalkylamines. Journal of Theoretical Biology. 113: 637-48. PMID 3839872 DOI: 10.1016/S0022-5193(85)80184-3 |
0.413 |
|
| 1985 |
Klopman G, Contreras R. Use of artificial intelligence in structure-activity correlations of anticonvulsant drugs. Molecular Pharmacology. 27: 86-93. PMID 3838106 |
0.549 |
|
| 1985 |
Contreras R, Klopman G. Quantum mechanical calculation of thermodynamic functions of solvation of ammonium ions in water Canadian Journal of Chemistry. 63: 1746-1749. DOI: 10.1139/V85-293 |
0.504 |
|
| 1985 |
Klopman G, Kalos AN. Causality in structure?activity studies Journal of Computational Chemistry. 6: 492-506. DOI: 10.1002/Jcc.540060520 |
0.334 |
|
| 1985 |
Klopman G, Namboodiri K, Schochet M. Simple method of computing the partition coefficient Journal of Computational Chemistry. 6: 28-38. DOI: 10.1002/Jcc.540060106 |
0.348 |
|
| 1984 |
Klopman G, Rosenkranz HS. Structural requirements for the mutagenicity of environmental nitroarenes. Mutation Research. 126: 227-38. PMID 6717460 DOI: 10.1016/0027-5107(84)90001-0 |
0.393 |
|
| 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 |
0.352 |
|
| 1984 |
Klopman G. Artificial intelligence approach to structure-activity studies. Computer automated structure evaluation of biological activity of organic molecules Journal of the American Chemical Society. 106: 7315-7321. DOI: 10.1002/Chin.198512078 |
0.361 |
|
| 1979 |
Kikuchi O, Hopfinger AJ, Klopman G. A new type of semi-empirical molecular orbital method for large molecules. Journal of Theoretical Biology. 77: 129-39. PMID 449365 DOI: 10.1016/0022-5193(79)90143-7 |
0.304 |
|
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