Rajarshi Guha, Ph.D. - Publications

Pennsylvania State University, State College, PA, United States 
Computational Chemistry

80 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
2016 Velegol D, Garg A, Guha R, Kar A, Kumar M. Origins of concentration gradients for diffusiophoresis. Soft Matter. PMID 27174044 DOI: 10.1039/c6sm00052e  1
2016 Anantpadma M, Kouznetsova J, Wang H, Huang R, Kolokoltsov A, Guha R, Lindstrom AR, Shtanko O, Simeonov A, Maloney DJ, Maury W, LaCount DJ, Jadhav A, Davey RA. Large Scale Screening and Identification of Novel Ebolavirus and Marburgvirus Entry Inhibitors. Antimicrobial Agents and Chemotherapy. PMID 27161622 DOI: 10.1128/AAC.00543-16  1
2016 Wood TL, Guha R, Tang L, Geitner M, Kumar M, Wood TK. Living biofouling-resistant membranes as a model for the beneficial use of engineered biofilms. Proceedings of the National Academy of Sciences of the United States of America. PMID 27140616 DOI: 10.1073/pnas.1521731113  1
2016 Baranello L, Wojtowicz D, Cui K, Devaiah BN, Chung HJ, Chan-Salis KY, Guha R, Wilson K, Zhang X, Zhang H, Piotrowski J, Thomas CJ, Singer DS, Pugh BF, Pommier Y, et al. RNA Polymerase II Regulates Topoisomerase 1 Activity to Favor Efficient Transcription. Cell. 165: 357-371. PMID 27058666 DOI: 10.1016/j.cell.2016.02.036  1
2016 Ju W, Zhang M, Wilson KM, Petrus MN, Bamford RN, Zhang X, Guha R, Ferrer M, Thomas CJ, Waldmann TA. Augmented efficacy of brentuximab vedotin combined with ruxolitinib and/or Navitoclax in a murine model of human Hodgkin's lymphoma. Proceedings of the National Academy of Sciences of the United States of America. PMID 26811457 DOI: 10.1073/pnas.1524668113  1
2015 Bogen D, Wei JS, Azorsa DO, Ormanoglu P, Buehler E, Guha R, Keller JM, Mathews Griner LA, Ferrer M, Song YK, Liao H, Mendoza A, Gryder BE, Sindri S, He J, et al. Aurora B kinase is a potent and selective target in MYCN-driven neuroblastoma. Oncotarget. PMID 26497213 DOI: 10.18632/oncotarget.6208  1
2015 Cheng KC, Cao S, Raveh A, MacArthur R, Dranchak P, Chlipala G, Okoneski MT, Guha R, Eastman RT, Yuan J, Schultz PJ, Su XZ, Tamayo-Castillo G, Matainaho T, Clardy J, et al. Actinoramide A Identified as a Potent Antimalarial from Titration-Based Screening of Marine Natural Product Extracts. Journal of Natural Products. PMID 26465675 DOI: 10.1021/acs.jnatprod.5b00489  1
2015 Mott BT, Eastman RT, Guha R, Sherlach KS, Siriwardana A, Shinn P, McKnight C, Michael S, Lacerda-Queiroz N, Patel PR, Khine P, Sun H, Kasbekar M, Aghdam N, Fontaine SD, et al. High-throughput matrix screening identifies synergistic and antagonistic antimalarial drug combinations. Scientific Reports. 5: 13891. PMID 26403635 DOI: 10.1038/srep13891  1
2015 Lee JA, Shinn P, Jaken S, Oliver S, Willard FS, Heidler S, Peery RB, Oler J, Chu S, Southall N, Dexheimer TS, Smallwood J, Huang R, Guha R, Jadhav A, et al. Novel Phenotypic Outcomes Identified for a Public Collection of Approved Drugs from a Publicly Accessible Panel of Assays. Plos One. 10: e0130796. PMID 26177200 DOI: 10.1371/journal.pone.0130796  1
2015 Hasson SA, Fogel AI, Wang C, MacArthur R, Guha R, Heman-Ackah S, Martin S, Youle RJ, Inglese J. Chemogenomic profiling of endogenous PARK2 expression using a genome-edited coincidence reporter. Acs Chemical Biology. 10: 1188-97. PMID 25689131 DOI: 10.1021/cb5010417  1
2015 Howe EA, de Souza A, Lahr DL, Chatwin S, Montgomery P, Alexander BR, Nguyen DT, Cruz Y, Stonich DA, Walzer G, Rose JT, Picard SC, Liu Z, Rose JN, Xiang X, ... ... Guha R, et al. BioAssay Research Database (BARD): chemical biology and probe-development enabled by structured metadata and result types. Nucleic Acids Research. 43: D1163-70. PMID 25477388 DOI: 10.1093/nar/gku1244  1
2015 Lewis R, Guha R, Korcsmaros T, Bender A. Synergy Maps: Exploring compound combinations using network-based visualization Journal of Cheminformatics. 7. DOI: 10.1186/s13321-015-0090-6  1
2015 Zhang M, Griner LAM, Ju W, Duveau DY, Guha R, Petrus MN, Wen B, Maeda M, Shinn P, Ferrer M, Conlon KD, Bamford RN, O'Shea JJ, Thomas CJ, Waldmann TA. Selective targeting of JAK/STAT signaling is potentiated by Bcl-xL blockade in IL-2-dependent adult T-cell leukemia Proceedings of the National Academy of Sciences of the United States of America. 112: 12480-12485. DOI: 10.1073/pnas.1516208112  1
2014 Jossé R, Martin SE, Guha R, Ormanoglu P, Pfister TD, Reaper PM, Barnes CS, Jones J, Charlton P, Pollard JR, Morris J, Doroshow JH, Pommier Y. ATR inhibitors VE-821 and VX-970 sensitize cancer cells to topoisomerase i inhibitors by disabling DNA replication initiation and fork elongation responses. Cancer Research. 74: 6968-79. PMID 25269479 DOI: 10.1158/0008-5472.CAN-13-3369  1
2014 Inglese J, Dranchak P, Moran JJ, Jang SW, Srinivasan R, Santiago Y, Zhang L, Guha R, Martinez N, MacArthur R, Cost GJ, Svaren J. Genome editing-enabled HTS assays expand drug target pathways for Charcot-Marie-tooth disease. Acs Chemical Biology. 9: 2594-602. PMID 25188731 DOI: 10.1021/cb5005492  1
2014 Carver J, Dexheimer TS, Hsu D, Weng MT, Smith JL, Guha R, Jadhav A, Simeonov A, Luo J. A high-throughput assay for small molecule destabilizers of the KRAS oncoprotein. Plos One. 9: e103836. PMID 25093678 DOI: 10.1371/journal.pone.0103836  1
2014 Ceribelli M, Kelly PN, Shaffer AL, Wright GW, Xiao W, Yang Y, Mathews Griner LA, Guha R, Shinn P, Keller JM, Liu D, Patel PR, Ferrer M, Joshi S, Nerle S, et al. Blockade of oncogenic IκB kinase activity in diffuse large B-cell lymphoma by bromodomain and extraterminal domain protein inhibitors. Proceedings of the National Academy of Sciences of the United States of America. 111: 11365-70. PMID 25049379 DOI: 10.1073/pnas.1411701111  1
2014 Mathews Griner LA, Guha R, Shinn P, Young RM, Keller JM, Liu D, Goldlust IS, Yasgar A, McKnight C, Boxer MB, Duveau DY, Jiang JK, Michael S, Mierzwa T, Huang W, et al. High-throughput combinatorial screening identifies drugs that cooperate with ibrutinib to kill activated B-cell-like diffuse large B-cell lymphoma cells. Proceedings of the National Academy of Sciences of the United States of America. 111: 2349-54. PMID 24469833 DOI: 10.1073/pnas.1311846111  1
2014 de Souza A, Bittker JA, Lahr DL, Brudz S, Chatwin S, Oprea TI, Waller A, Yang JJ, Southall N, Guha R, Schürer SC, Vempati UD, Southern MR, Dawson ES, Clemons PA, et al. An Overview of the Challenges in Designing, Integrating, and Delivering BARD: A Public Chemical-Biology Resource and Query Portal for Multiple Organizations, Locations, and Disciplines. Journal of Biomolecular Screening. 19: 614-627. PMID 24441647 DOI: 10.1177/1087057113517139  1
2014 Kar A, Guha R, Dani N, Velegol D, Kumar M. Particle deposition on microporous membranes can be enhanced or reduced by salt gradients. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 793-9. PMID 24392973 DOI: 10.1021/la4044107  1
2014 Guha R, Medina-Franco JL. On the validity versus utility of activity landscapes: Are all activity cliffs statistically significant? Journal of Cheminformatics. 6. DOI: 10.1186/1758-2946-6-11  1
2013 Hasson SA, Kane LA, Yamano K, Huang CH, Sliter DA, Buehler E, Wang C, Heman-Ackah SM, Hessa T, Guha R, Martin SE, Youle RJ. High-content genome-wide RNAi screens identify regulators of parkin upstream of mitophagy. Nature. 504: 291-5. PMID 24270810 DOI: 10.1038/nature12748  1
2013 Rhyasen GW, Bolanos L, Fang J, Jerez A, Wunderlich M, Rigolino C, Mathews L, Ferrer M, Southall N, Guha R, Keller J, Thomas C, Beverly LJ, Cortelezzi A, Oliva EN, et al. Targeting IRAK1 as a therapeutic approach for myelodysplastic syndrome. Cancer Cell. 24: 90-104. PMID 23845443 DOI: 10.1016/j.ccr.2013.05.006  1
2013 Guha R. On exploring structure-activity relationships Methods in Molecular Biology. 993: 81-94. PMID 23568465 DOI: 10.1007/978-1-62703-342-8_6  1
2013 Dranchak P, MacArthur R, Guha R, Zuercher WJ, Drewry DH, Auld DS, Inglese J. Profile of the GSK published protein kinase inhibitor set across ATP-dependent and-independent luciferases: implications for reporter-gene assays. Plos One. 8: e57888. PMID 23505445 DOI: 10.1371/journal.pone.0057888  1
2013 Druz A, Chen YC, Guha R, Betenbaugh M, Martin SE, Shiloach J. Large-scale screening identifies a novel microRNA, miR-15a-3p, which induces apoptosis in human cancer cell lines. Rna Biology. 10: 287-300. PMID 23353574 DOI: 10.4161/rna.23339  1
2013 Casson L, Howell L, Mathews LA, Ferrer M, Southall N, Guha R, Keller JM, Thomas C, Siskind LJ, Beverly LJ. Inhibition of ceramide metabolism sensitizes human leukemia cells to inhibition of BCL2-like proteins. Plos One. 8: e54525. PMID 23342165 DOI: 10.1371/journal.pone.0054525  1
2013 Ghosh D, Guha R. What are we 'tweeting' about obesity? Mapping tweets with topic modeling and Geographic Information System Cartography and Geographic Information Science. 40: 90-102. DOI: 10.1080/15230406.2013.776210  1
2012 Mott BT, Cheng KC, Guha R, Kommer VP, Williams DL, Vermeire JJ, Cappello M, Maloney DJ, Rai G, Jadhav A, Simeonov A, Inglese J, Posner GH, Thomas CJ. A furoxan-amodiaquine hybrid as a potential therapeutic for three parasitic diseases(). Medchemcomm. 3: 1505-1511. PMID 23205265 DOI: 10.1039/C2MD20238G  1
2012 Guha R, Willighagen E. A survey of quantitative descriptions of molecular structure Current Topics in Medicinal Chemistry. 12: 1946-1956. PMID 23110530 DOI: 10.2174/156802612804910278  1
2012 Pouliot LM, Chen YC, Bai J, Guha R, Martin SE, Gottesman MM, Hall MD. Cisplatin sensitivity mediated by WEE1 and CHK1 is mediated by miR-155 and the miR-15 family. Cancer Research. 72: 5945-55. PMID 22942255 DOI: 10.1158/0008-5472.CAN-12-1400  1
2012 Mathews LA, Keller JM, Goodwin BL, Guha R, Shinn P, Mull R, Thomas CJ, de Kluyver RL, Sayers TJ, Ferrer M. A 1536-well quantitative high-throughput screen to identify compounds targeting cancer stem cells. Journal of Biomolecular Screening. 17: 1231-42. PMID 22927676 DOI: 10.1177/1087057112458152  1
2012 Guha R. Exploring uncharted territories: Predicting activity Cliffs in structure-activity landscapes Journal of Chemical Information and Modeling. 52: 2181-2191. PMID 22873578 DOI: 10.1021/ci300047k  1
2012 Yang Y, Shaffer AL, Emre NC, Ceribelli M, Zhang M, Wright G, Xiao W, Powell J, Platig J, Kohlhammer H, Young RM, Zhao H, Yang Y, Xu W, Buggy JJ, ... ... Guha R, et al. Exploiting synthetic lethality for the therapy of ABC diffuse large B cell lymphoma. Cancer Cell. 21: 723-37. PMID 22698399 DOI: 10.1016/j.ccr.2012.05.024  1
2012 Lee CY, Johnson RL, Wichterman-Kouznetsova J, Guha R, Ferrer M, Tuzmen P, Martin SE, Zhu W, DePamphilis ML. High-throughput screening for genes that prevent excess DNA replication in human cells and for molecules that inhibit them. Methods (San Diego, Calif.). 57: 234-48. PMID 22503772 DOI: 10.1016/j.ymeth.2012.03.031  1
2012 Pegoraro G, Voss TC, Martin SE, Tuzmen P, Guha R, Misteli T. Identification of mammalian protein quality control factors by high-throughput cellular imaging. Plos One. 7: e31684. PMID 22363705 DOI: 10.1371/journal.pone.0031684  1
2012 Heidebrecht RW, Mulrooney C, Austin CP, Barker RH, Beaudoin JA, Cheng KC, Comer E, Dandapani S, Dick J, Duvall JR, Ekland EH, Fidock DA, Fitzgerald ME, Foley M, Guha R, et al. Diversity-Oriented Synthesis Yields a Novel Lead for the Treatment of Malaria. Acs Medicinal Chemistry Letters. 3: 112-117. PMID 22328964 DOI: 10.1021/ml200244k  1
2012 Wegner JK, Sterling A, Guha R, Bender A, Faulon JL, Hastings J, O'Boyle N, Overington J, Van Vlijmen H, Willighagen E. Cheminformatics Communications of the Acm. 55: 65-75. DOI: 10.1145/2366316.2366334  1
2012 Guha R. Exploring structure-activity data using the landscape paradigm Wiley Interdisciplinary Reviews: Computational Molecular Science. 2: 829-841. DOI: 10.1002/wcms.1087  1
2011 Guha R, Wiggins GD, Wild DJ, Baik MH, Pierce And ME, Fox GC. Improving usability and accessibility of cheminformatics tools for chemists through cyberinfrastructure and education. In Silico Biology. 11: 41-60. PMID 22475751 DOI: 10.3233/CI-2008-0015  1
2011 O'Boyle NM, Guha R, Willighagen EL, Adams SE, Alvarsson J, Bradley JC, Filippov IV, Hanson RM, Hanwell MD, Hutchison GR, James CA, Jeliazkova N, Lang AS, Langner KM, Lonie DC, et al. Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. Journal of Cheminformatics. 3: 37. PMID 21999342 DOI: 10.1186/1758-2946-3-37  1
2011 Martin SE, Wu ZH, Gehlhaus K, Jones TL, Zhang YW, Guha R, Miyamoto S, Pommier Y, Caplen NJ. RNAi screening identifies TAK1 as a potential target for the enhanced efficacy of topoisomerase inhibitors. Current Cancer Drug Targets. 11: 976-86. PMID 21834757 DOI: 10.2174/156800911797264734  1
2011 Yuan J, Cheng KC, Johnson RL, Huang R, Pattaradilokrat S, Liu A, Guha R, Fidock DA, Inglese J, Wellems TE, Austin CP, Su XZ. Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets. Science (New York, N.Y.). 333: 724-9. PMID 21817045 DOI: 10.1126/science.1205216  1
2011 Guha R, Dexheimer TS, Kestranek AN, Jadhav A, Chervenak AM, Ford MG, Simeonov A, Roth GP, Thomas CJ. Exploratory analysis of kinetic solubility measurements of a small molecule library. Bioorganic & Medicinal Chemistry. 19: 4127-34. PMID 21640593 DOI: 10.1016/j.bmc.2011.05.005  1
2011 Brown LE, Chih-Chien Cheng K, Wei WG, Yuan P, Dai P, Trilles R, Ni F, Yuan J, MacArthur R, Guha R, Johnson RL, Su XZ, Dominguez MM, Snyder JK, Beeler AB, et al. Discovery of new antimalarial chemotypes through chemical methodology and library development. Proceedings of the National Academy of Sciences of the United States of America. 108: 6775-80. PMID 21498685 DOI: 10.1073/pnas.1017666108  1
2011 Ghosh D, Guha R. Using a neural network for mining interpretable relationships of West Nile risk factors. Social Science & Medicine (1982). 72: 418-29. PMID 20950908 DOI: 10.1016/j.socscimed.2010.09.014  1
2011 Guha R. The ups and downs of structure-activity landscapes. Methods in Molecular Biology (Clifton, N.J.). 672: 101-17. PMID 20838965 DOI: 10.1007/978-1-60761-839-3_3  1
2011 Saubern S, Guha R, Baell JB. KNIME workflow to assess PAINS filters in SMARTS format. Comparison of RDKit and indigo cheminformatics libraries Molecular Informatics. 30: 847-850. DOI: 10.1002/minf.201100076  1
2011 Guha R, Bender A. Computational Approaches in Cheminformatics and Bioinformatics Computational Approaches in Cheminformatics and Bioinformatics. DOI: 10.1002/9781118131411  1
2011 Guha R, Spjuth O, Willighagen E. Collaborative Cheminformatics Applications Collaborative Computational Technologies For Biomedical Research. 399-422. DOI: 10.1002/9781118026038.ch24  1
2010 Spjuth O, Willighagen EL, Guha R, Eklund M, Wikberg JE. Towards interoperable and reproducible QSAR analyses: Exchange of datasets. Journal of Cheminformatics. 2: 5. PMID 20591161 DOI: 10.1186/1758-2946-2-5  1
2010 Guha R, Gilbert K, Fox G, Pierce M, Wild D, Yuan H. Advances in cheminformatics methodologies and infrastructure to support the data mining of large, heterogeneous chemical datasets. Current Computer-Aided Drug Design. 6: 50-67. PMID 20370695 DOI: 10.2174/157340910790980115  1
2010 Ghosh D, Guha R. Use of genetic algorithm and neural network approaches for risk factor selection: A case study of West Nile virus dynamics in an urban environment Computers, Environment and Urban Systems. 34: 189-203. DOI: 10.1016/j.compenvurbsys.2010.02.007  1
2010 Ghosh D, Guha R. A risk factor analysis of west nile virus: Extraction of relationships from a neural-network model Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 6007: 208-217. DOI: 10.1007/978-3-642-12079-4_27  1
2009 Chen B, Wild D, Guha R. PubChem as a source of polypharmacology. Journal of Chemical Information and Modeling. 49: 2044-55. PMID 19708682 DOI: 10.1021/ci9001876  1
2009 Bajorath J, Peltason L, Wawer M, Guha R, Lajiness MS, Van Drie JH. Navigating structure-activity landscapes. Drug Discovery Today. 14: 698-705. PMID 19410012 DOI: 10.1016/j.drudis.2009.04.003  1
2009 Singh N, Guha R, Giulianotti MA, Pinilla C, Houghten RA, Medina-Franco JL. Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository. Journal of Chemical Information and Modeling. 49: 1010-24. PMID 19301827 DOI: 10.1021/ci800426u  1
2008 Guha R. On the interpretation and interpretability of quantitative structure-activity relationship models. Journal of Computer-Aided Molecular Design. 22: 857-71. PMID 18784976 DOI: 10.1007/s10822-008-9240-5  1
2008 Guha R, Van Drie JH. Assessing how well a modeling protocol captures a structure-activity landscape. Journal of Chemical Information and Modeling. 48: 1716-28. PMID 18686944 DOI: 10.1021/ci8001414  1
2008 Guha R, Van Drie JH. Structure--activity landscape index: identifying and quantifying activity cliffs. Journal of Chemical Information and Modeling. 48: 646-58. PMID 18303878 DOI: 10.1021/ci7004093  1
2008 Guha R, Schürer SC. Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assays. Journal of Computer-Aided Molecular Design. 22: 367-84. PMID 18283419 DOI: 10.1007/s10822-008-9192-9  1
2008 Guha R. Flexible Web service infrastructure for the development and deployment of predictive models. Journal of Chemical Information and Modeling. 48: 456-64. PMID 18217738 DOI: 10.1021/ci700188u  1
2008 Kim K, Pierce ME, Guha R. SQMD: Architecture for scalable, distributed database system built on virtual private servers Proceedings - 4th Ieee International Conference On Escience, Escience 2008. 658-665. DOI: 10.1109/eScience.2008.35  1
2007 Willighagen EL, O'Boyle NM, Gopalakrishnan H, Jiao D, Guha R, Steinbeck C, Wild DJ. Userscripts for the life sciences. Bmc Bioinformatics. 8: 487. PMID 18154664 DOI: 10.1186/1471-2105-8-487  1
2007 Wang H, Klinginsmith J, Dong X, Lee AC, Guha R, Wu Y, Crippen GM, Wild DJ. Chemical data mining of the NCI human tumor cell line database. Journal of Chemical Information and Modeling. 47: 2063-76. PMID 17915856 DOI: 10.1021/ci700141x  1
2007 Guha R, Dutta D, Wild DJ, Chen T. Counting clusters using R-NN curves. Journal of Chemical Information and Modeling. 47: 1308-18. PMID 17602604 DOI: 10.1021/ci600541f  1
2007 Dong X, Gilbert KE, Guha R, Heiland R, Kim J, Pierce ME, Fox GC, Wild DJ. Web service infrastructure for chemoinformatics. Journal of Chemical Information and Modeling. 47: 1303-7. PMID 17602467 DOI: 10.1021/ci6004349  1
2007 Dutta D, Guha R, Wild D, Chen T. Ensemble feature selection: consistent descriptor subsets for multiple QSAR models. Journal of Chemical Information and Modeling. 47: 989-97. PMID 17407280 DOI: 10.1021/ci600563w  1
2007 Guha R. Chemical informatics functionality in R Journal of Statistical Software. 18: 1-16.  1
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  1
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  1
2006 Steinbeck C, Hoppe C, Kuhn S, Floris M, Guha R, Willighagen EL. Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics. Current Pharmaceutical Design. 12: 2111-20. PMID 16796559 DOI: 10.2174/138161206777585274  1
2006 Guha R, Howard MT, Hutchison GR, Murray-Rust P, Rzepa H, Steinbeck C, Wegner J, Willighagen EL. The Blue Obelisk-interoperability in chemical informatics. Journal of Chemical Information and Modeling. 46: 991-8. PMID 16711717 DOI: 10.1021/ci050400b  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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