The FacetedDBLP logo    Search for: in:

Disable automatic phrases ?     Syntactic query expansion: ?

Searching for QSAR with no syntactic query expansion in all metadata.

Publication years (Num. hits)
1983-1994 (21) 1995-1997 (25) 1998-1999 (30) 2000 (23) 2001 (30) 2002 (27) 2003 (47) 2004 (45) 2005 (31) 2006 (37) 2007 (48) 2008 (61) 2009 (43) 2010 (39) 2011 (31) 2012 (37) 2013 (35) 2014 (26) 2015 (30) 2016 (26) 2017 (22) 2018 (30) 2019 (23)
Publication types (Num. hits)
article(699) incollection(5) inproceedings(63)
GrowBag graphs for keyword ? (Num. hits/coverage)

Group by:
The graphs summarize 36 occurrences of 25 keywords

Results
Found 767 publication records. Showing 767 according to the selection in the facets
Hits ? Authors Title Venue Year Link Author keywords
120Guo-Zheng Li 0001, Hao-Hua Meng, Mary Qu Yang, Jack Y. Yang Asymmetric Bagging and Feature Selection for Activities Prediction of Drug Molecules. Search on Bibsonomy IMSCCS The full citation details ... 2007 DBLP  DOI  BibTeX  RDF Feature Selection, Ensemble Learning, Bagging, QSAR, QSAR
91A. Ammar Ghaibeh, Mikio Sasaki, Hiroshi Chuman Using Voronoi Grid and SVM Linear Regression in Drug Discovery. Search on Bibsonomy CIBCB The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
88Muhammad Muddassar, F. A. Pasha, Hwan Won Chung, Kyung Ho Yoo, Chang Hyun Oh, Seung Joo Cho The Receptor Guided 3D-QSAR Method is a Powerful Tool to Design More Potent IGF-1R Inhibitors. Search on Bibsonomy FBIT The full citation details ... 2007 DBLP  DOI  BibTeX  RDF
75Irene Luque Ruiz, Miguel Ángel Gómez-Nieto A Tool for the Calculation of Molecular Descriptors in the Development of QSAR Models. Search on Bibsonomy ICCSA (1) The full citation details ... 2008 DBLP  DOI  BibTeX  RDF Molecular descriptors, Java, QSAR, Computational Chemistry
73Walter Cedeñto, Dimitris K. Agraflotis Particle swarms for drug design. Search on Bibsonomy Congress on Evolutionary Computation The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
73Walter Cedeño, Dimitris K. Agrafiotis A Comparison of Particle Swarms Techniques for the Development of Quantitative Structure-Activity Relationship Models for Drug Design. Search on Bibsonomy CSB Workshops The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
69Yen-Chih Chen, Jinn-Moon Yang, Chi-Hung Tsai, Cheng-Yan Kao GEMPLS: A New QSAR Method Combining Generic Evolutionary Method and Partial Least Squares. Search on Bibsonomy EvoWorkshops The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
69Zhiwei Wang, Gregory L. Durst, Russell C. Eberhart, Donald B. Boyd, Zina Ben-Miled Particle Swarm Optimization and Neural Network Application for QSAR. Search on Bibsonomy IPDPS The full citation details ... 2004 DBLP  DOI  BibTeX  RDF
57Sivaprakasam Prasanna, Pankaj R. Daga, Aihua Xie, Robert J. Doerksen Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: insights from 3D-QSAR and docking. Search on Bibsonomy Journal of Computer-Aided Molecular Design The full citation details ... 2009 DBLP  DOI  BibTeX  RDF 3D-QSAR, CoMFA, CoMSIA, GSK-3, Maleimides, Docking
57Uko Maran, Sulev Sild QSAR Modeling of Genotoxicity on Non-congeneric Sets of Organic Compounds. Search on Bibsonomy Artif. Intell. Rev. The full citation details ... 2003 DBLP  DOI  BibTeX  RDF Ames test, forward selection, molecular descriptors, mutagenicity, multi-linear regression, quantum chemical descriptors, neural network, QSAR
54Emilio Benfenati Modelling Aquatic Toxicity with Advanced Computational Techniques: Procedures to Standardize Data and Compare Models. Search on Bibsonomy KELSI The full citation details ... 2004 DBLP  DOI  BibTeX  RDF
54Marian Viorel Craciun, Daniel Neagu, Christoph König, Severin Bumbaru A Study of Aquatic Toxicity Using Artificial Neural Networks. Search on Bibsonomy KES The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
51F. A. Pasha, Muhammad Muddassar, So Ha Lee, Taebo Sim, Jung-Mi Hah, Seung Joo Cho In silico Ligand-Based (LB) and Docking-Based (DB) 3D-QSAR Study of Potent Chk2 Inhibitors. Search on Bibsonomy FBIT The full citation details ... 2007 DBLP  DOI  BibTeX  RDF
51Changjian Huang, Mark J. Embrechts, Nagamani Sukumar, Curt M. Breneman Data Fusion and Auto-fusion for Quantitative Structure-Activity Relationship (QSAR). Search on Bibsonomy ICANN (1) The full citation details ... 2007 DBLP  DOI  BibTeX  RDF
45Shuxing Zhang, Alexander Golbraikh, Scott Oloff, Harold Kohn, Alexander Tropsha A Novel Automated Lazy Learning QSAR (ALL-QSAR) Approach: Method Development, Applications, and Virtual Screening of Chemical Databases Using Validated ALL-QSAR Models. Search on Bibsonomy Journal of Chemical Information and Modeling The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
42Kirandeep Kaur, Tanaji T. Talele Structure-based CoMFA and CoMSIA study of indolinone inhibitors of PDK1. Search on Bibsonomy Journal of Computer-Aided Molecular Design The full citation details ... 2009 DBLP  DOI  BibTeX  RDF 3D QSAR, CoMFA, CoMSIA, Indolinone, PDK1
39Kazuya Nakao, Masaaki Fujikawa, Ryo Shimizu, Miki Akamatsu QSAR application for the prediction of compound permeability with in silico descriptors in practical use. Search on Bibsonomy Journal of Computer-Aided Molecular Design The full citation details ... 2009 DBLP  DOI  BibTeX  RDF PAMPA, Log P, pK a, PSA, Caco-2, QSAR
39Alexander V. Gaiday, Igor A. Levandovskiy, Kendall G. Byler, Tatyana E. Shubina Mechanism of Influenza A M2 Ion-Channel Inhibition: A Docking and QSAR Study. Search on Bibsonomy ICCS (2) The full citation details ... 2008 DBLP  DOI  BibTeX  RDF Influenza A, ion-channel inhibition, antiviral drugs, cage compounds, QSAR
36Wei Li 0035, Yannan Zhao, Yixu Song, Zehong Yang COX-2 activity prediction in Chinese medicine using neural network based ensemble learning methods. Search on Bibsonomy IJCNN The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
36Jesse Davis, Vítor Santos Costa, Soumya Ray, David Page An integrated approach to feature invention and model construction for drug activity prediction. Search on Bibsonomy ICML The full citation details ... 2007 DBLP  DOI  BibTeX  RDF
36Vladimir Svetnik, Andy Liaw, Christopher Tong, Ting Wang Application of Breiman's Random Forest to Modeling Structure-Activity Relationships of Pharmaceutical Molecules. Search on Bibsonomy Multiple Classifier Systems The full citation details ... 2004 DBLP  DOI  BibTeX  RDF
36Ferenc Darvas, Ákos Papp, István Bágyi, Géza Ambrus, László Ürge OpenMolGRID, a GRID Based System for Solving Large-Scale Drug Design Problems. Search on Bibsonomy European Across Grids Conference The full citation details ... 2004 DBLP  DOI  BibTeX  RDF
33Peng Zhou, Xiang Chen, Zhicai Shang Side-chain conformational space analysis (SCSA): A multi conformation-based QSAR approach for modeling and prediction of protein-peptide binding affinities. Search on Bibsonomy Journal of Computer-Aided Molecular Design The full citation details ... 2009 DBLP  DOI  BibTeX  RDF Multi-conformation-based quantitative structure-activity relationship, Side-chain conformational space analysis, Rotamer library, Self-consistent mean field theory, Protein-peptide complex, HLA-A*0201-restricted CTL epitope
33Riccardo Cardin, Lisa Michielan, Stefano Moro, Alessandro Sperduti PCA-Based Representations of Graphs for Prediction in QSAR Studies. Search on Bibsonomy ICANN (2) The full citation details ... 2009 DBLP  DOI  BibTeX  RDF PCA for graphs, prediction on structured domains, supervised learning
33Winston Yu-Chen Chen, Po-Yuan Chen, Calvin Yu-Chian Chen, Jing-Gung Chung Exploring 3D-QSAR pharmacophore mapping of azaphenanthrenone derivatives for mPGES-1 inhibition Using HypoGen technique. Search on Bibsonomy CIBCB The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
33Yubin Ji, Ran Tian, Wenhan Lin QSAR and Molecular Docking Study of a Series of Combretastatin Analogues Tubulin Inhibitors. Search on Bibsonomy LSMS (2) The full citation details ... 2007 DBLP  DOI  BibTeX  RDF
33Marian Viorel Craciun, Adina Cocu, Luminita Dumitriu, Cristina Segal A Hybrid Feature Selection Algorithm for the QSAR Problem. Search on Bibsonomy International Conference on Computational Science (1) The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
33Alessio Micheli, Filippo Portera, Alessandro Sperduti QSAR/QSPR Studies by Kernel Machines, Recursive Neural Networks and Their Integration. Search on Bibsonomy WIRN The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
30Rino Ragno www.3d-qsar.com: a web portal that brings 3-D QSAR to all electronic devices - the Py-CoMFA web application as tool to build models from pre-aligned datasets. Search on Bibsonomy Journal of Computer-Aided Molecular Design The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
30João Paulo A. Martins, Marco Antônio Rougeth de Oliveira, Mário Sérgio Oliveira de Queiroz Web-4D-QSAR: A web-based application to generate 4D-QSAR descriptors. Search on Bibsonomy Journal of Computational Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
30Villu Ruusmann, Sulev Sild, Uko Maran QSAR DataBank - an approach for the digital organization and archiving of QSAR model information. Search on Bibsonomy J. Cheminformatics The full citation details ... 2014 DBLP  DOI  BibTeX  RDF
30Richard Cox, Darren V. S. Green, Christopher N. Luscombe, Noj Malcolm, Stephen D. Pickett QSAR workbench: automating QSAR modeling to drive compound design. Search on Bibsonomy Journal of Computer-Aided Molecular Design The full citation details ... 2013 DBLP  DOI  BibTeX  RDF
30Raghuvir R. S. Pissurlenkar, Vijay M. Khedkar, Radhakrishnan P. Iyer, Evans C. Coutinho Ensemble QSAR: A QSAR method based on conformational ensembles and metric descriptors. Search on Bibsonomy Journal of Computational Chemistry The full citation details ... 2011 DBLP  DOI  BibTeX  RDF
30Eric J. Martin, Prasenjit Mukherjee, David C. Sullivan, Johanna M. Jansen Profile-QSAR: A Novel meta-QSAR Method that Combines Activities across the Kinase Family To Accurately Predict Affinity, Selectivity, and Cellular Activity. Search on Bibsonomy Journal of Chemical Information and Modeling The full citation details ... 2011 DBLP  DOI  BibTeX  RDF
30João Paulo A. Martins, Euzébio G. Barbosa, Kerly F. M. Pasqualoto, Márcia M. C. Ferreira LQTA-QSAR: A New 4D-QSAR Methodology. Search on Bibsonomy Journal of Chemical Information and Modeling The full citation details ... 2009 DBLP  DOI  BibTeX  RDF
30Jui-Hua Hsieh, Xiang S. Wang, Denise G. Teotico, Alexander Golbraikh, Alexander Tropsha Differentiation of AmpC beta-lactamase binders vs. decoys using classification k NN QSAR modeling and application of the QSAR classifier to virtual screening. Search on Bibsonomy Journal of Computer-Aided Molecular Design The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
30Sofie Van Damme, Patrick Bultinck A new computer program for QSAR-analysis: ARTE-QSAR. Search on Bibsonomy Journal of Computational Chemistry The full citation details ... 2007 DBLP  DOI  BibTeX  RDF
30Andrzej Bak, Jaroslaw Polanski Modeling Robust QSAR 3: SOM-4D-QSAR with Iterative Variable Elimination IVE-PLS: Application to Steroid, Azo Dye, and Benzoic Acid Series. Search on Bibsonomy Journal of Chemical Information and Modeling The full citation details ... 2007 DBLP  DOI  BibTeX  RDF
30Osvaldo Andrade Santos-Filho, Anton J. Hopfinger Structure-Based QSAR Analysis of a Set of 4-Hydroxy-5, 6-dihydropyrones as Inhibitors of HIV-1 Protease: An Application of the Receptor-Dependent (RD) 4D-QSAR Formalism. Search on Bibsonomy Journal of Chemical Information and Modeling The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
30Gyanendra Pandey, Anil K. Saxena 3D QSAR Studies on Protein Tyrosine Phosphatase 1B Inhibitors: Comparison of the Quality and Predictivity among 3D QSAR Models Obtained from Different Conformer-Based Alignments. Search on Bibsonomy Journal of Chemical Information and Modeling The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
30Qi Shen, Jian-Hui Jiang, Jing-chao Tao, Guo-Li Shen, Ru-Qin Yu Modified Ant Colony Optimization Algorithm for Variable Selection in QSAR Modeling: QSAR Studies of Cyclooxygenase Inhibitors. Search on Bibsonomy Journal of Chemical Information and Modeling The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
30Rafal Gieleciak, Tomasz Magdziarz, Andrzej Bak, Jaroslaw Polanski Modeling Robust QSAR. 1. Coding Molecules in 3D-QSAR - from a Point to Surface Sectors and Molecular Volumes. Search on Bibsonomy Journal of Chemical Information and Modeling The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
30Craig L. Senese, Anton J. Hopfinger A Simple Clustering Technique To Improve QSAR Model Selection and Predictivity: Application to a Receptor Independent 4D-QSAR Analysis of Cyclic Urea Derived Inhibitors of HIV-1 Protease. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
30Vellarkad N. Viswanadhan, Geoffrey A. Mueller, Subhash C. Basak, John N. Weinstein Comparison of a Neural Net-Based QSAR Algorithm (PCANN) with Hologram- and Multiple Linear Regression-Based QSAR Approaches: Application to 1, 4-Dihydropyridine-Based Calcium Channel Antagonists. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2001 DBLP  DOI  BibTeX  RDF
30Nikolai S. Zefirov, Vladimir A. Palyulin QSAR for Boiling Points of "Small" Sulfides. Are the "High-Quality Structure-Property-Activity Regressions" the Real High Quality QSAR Models? Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2001 DBLP  DOI  BibTeX  RDF
30Kiyoshi Hasegawa, Toshiro Kimura, Kimito Funatsu GA Strategy for Variable Selection in QSAR Studies: Application of GA-Based Region Selection to a 3D-QSAR Study of Acetylcholinesterase Inhibitors. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 1999 DBLP  DOI  BibTeX  RDF
30Alexandru T. Balaban Neural Networks in QSAR and Drug Design. Edited by J. Devillers. Volume 2 in the Series: Principles of QSAR and Drug Design. Academic Press: San Diego, 1996, 284 pp. ISBN 0-12-213815-5. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 1997 DBLP  DOI  BibTeX  RDF
24Nathan Brown Chemoinformatics - an introduction for computer scientists. Search on Bibsonomy ACM Comput. Surv. The full citation details ... 2009 DBLP  DOI  BibTeX  RDF molecular modeling, drug discovery, docking, QSAR, Chemoinformatics, chemometrics
24Ulrich Rückert 0002 Capacity Control for Partially Ordered Feature Sets. Search on Bibsonomy ECML/PKDD (2) The full citation details ... 2009 DBLP  DOI  BibTeX  RDF capacity control, partially ordered features, graph mining, QSAR
24Kurt De Grave, Jan Ramon, Luc De Raedt Active Learning for High Throughput Screening. Search on Bibsonomy Discovery Science The full citation details ... 2008 DBLP  DOI  BibTeX  RDF Chemical compounds, Optimization, Active Learning, QSAR
24Axel J. Soto, Rocío L. Cecchini, Gustavo E. Vazquez, Ignacio Ponzoni A Wrapper-Based Feature Selection Method for ADMET Prediction Using Evolutionary Computing. Search on Bibsonomy EvoBIO The full citation details ... 2008 DBLP  DOI  BibTeX  RDF hydrophobicity, Genetic Algorithms, Feature Selection, QSAR
24Frank Lemke, Emilio Benfenati, Johann-Adolf Müller Data-driven modeling and prediction of acute toxicity of pesticide residues. Search on Bibsonomy SIGKDD Explorations The full citation details ... 2006 DBLP  DOI  BibTeX  RDF DEMETRA, european chemicals policy, knowledge discovery workflow, pesticide toxicity, predictive QSAR models, self-organizing modeling, model validation
24Uko Maran, Sulev Sild, Paolo Mazzatorta, Mosé Casalegno, Emilio Benfenati, Mathilde Romberg Grid Computing for the Estimation of Toxicity: Acute Toxicity on Fathead Minnow (Pimephales promelas). Search on Bibsonomy GCCB The full citation details ... 2006 DBLP  DOI  BibTeX  RDF molecular descriptors, distributed computing, workflow, chemistry, QSAR, modelling and prediction
18Gary B. Fogel, Jonathan Tran, Stephen Johnson, David Hecht Machine learning approaches for customized docking scores: Modeling of inhibition of Mycobacterium tuberculosis enoyl acyl carrier protein reductase. Search on Bibsonomy CIBCB The full citation details ... 2010 DBLP  DOI  BibTeX  RDF
18Srinivas R. Alla, Akmal Aulia, Sunil Kumar, Rajni Garg Using hybrid GA-ANN to predict biological activity of HIV protease inhibitors. Search on Bibsonomy CIBCB The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
18Sulev Sild, Uko Maran, Mathilde Romberg, Bernd Schuller, Emilio Benfenati OpenMolGRID: Using Automated Workflows in GRID Computing Environment. Search on Bibsonomy EGC The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
18Saso Dzeroski, Ljupco Todorovski, Peter Ljubic Inductive Databases of Polynomial Equations. Search on Bibsonomy DaWaK The full citation details ... 2004 DBLP  DOI  BibTeX  RDF
18Giuseppina C. Gini, Emilio Benfenati, Daniel Boley Clustering and classification techniques to assess aquatic toxicity. Search on Bibsonomy KES The full citation details ... 2000 DBLP  DOI  BibTeX  RDF
15Bilal Nizami, Elham Mousavinezhad Sarasia, Mehbub I. K. Momin, Bahareh Honarparvar Estrogenic Active Stilbene Derivatives as Anti-Cancer Agents: A DFT and QSAR Study. Search on Bibsonomy IEEE/ACM Trans. Comput. Biology Bioinform. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Oanh Vu, Jeffrey L. Mendenhall, Doaa Altarawy, Jens Meiler BCL: : Mol2D - a robust atom environment descriptor for QSAR modeling and lead optimization. Search on Bibsonomy Journal of Computer-Aided Molecular Design The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Jonathan Cardoso-Silva, Lazaros G. Papageorgiou, Sophia Tsoka Network-based piecewise linear regression for QSAR modelling. Search on Bibsonomy Journal of Computer-Aided Molecular Design The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Sunyoung Kwon, Ho Bae, Jeonghee Jo, Sungroh Yoon Comprehensive ensemble in QSAR prediction for drug discovery. Search on Bibsonomy BMC Bioinformatics The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Mohammad A. Khanfar, Saja AlQtaishat Discovery of potent IRAK-4 inhibitors as potential anti-inflammatory and anticancer agents using structure-based exploration of IRAK-4 pharmacophoric space coupled with QSAR analyses. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Erol Eroglu DFT-based QSAR modelling of selectivity and inhibitory activity of coumarins and sulfocoumarins against tumor-associated carbonic anhydrase isoform IX. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Xiaohui Zhao, Yuanyuan Zhao, Zhixing Ren, Yu Li Combined QSAR/QSPR and molecular docking study on fluoroquinolones to reduce biological enrichment. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Elham Manouchehrizadeh, Azar Mostoufi, Elham Tahanpesar, Masood Fereidoonnezhad Alignment-independent 3D-QSAR and molecular docking studies of tacrine-4-oxo-4H-Chromene hybrids as anti-Alzheimer's agents. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Yingying Li, Jiale Peng, Penghua Li, Haibo Du, Yaping Li, Xingyong Liu, Li Zhang, Liang-Liang Wang, Zhili Zuo Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Shahzaib Ahamad, Asimul Islam, Faizan Ahmad, Neeraj Dwivedi, Md. Imtaiyaz Hassan 2/3D-QSAR, molecular docking and MD simulation studies of FtsZ protein targeting benzimidazoles derivatives. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15D. R. Sherin, C. K. Geethu, Jaya Prabhakaran, J. John Mann, J. S. Dileep Kumar, T. K. Manojkumar Molecular docking, dynamics simulations and 3D-QSAR modeling of arylpiperazine derivatives of 3, 5-dioxo-(2H, 4H)-1, 2, 4-triazine as 5-HT1AR agonists. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Yuxuan Wang, Haiqiong Guo, Guanghui Tang, Qingxiu He, Yuping Zhang, Yong Hu, Yuanqiang Wang, Zhihua Lin A selectivity study of benzenesulfonamide derivatives on human carbonic anhydrase II/IX by 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Mahmoud A. Al-Sha'er, Qosay A. Al-Balas, Mohammad A. Hassan, Ghazi A. Al Jabal, Ammar M. Almaaytah Combination of pharmacophore modeling and 3D-QSAR analysis of potential glyoxalase-I inhibitors as anticancer agents. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Rajesh B. Patil, Euzébio G. Barbosa, Jaiprakash N. Sangshetti, Sanjay D. Sawant, Vishal P. Zambre Erratum to "LQTA-R: A new 3D-QSAR methodology applied to a set of DGAT1 inhibitors" [Computat. Biol. Chem. 74 (2018) 123-131]. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Mohemmed Faraz Khan, Garima Verma, Perwez Alam, Mymoona Akhter, Md Afroz Bakht, Syed Misbahul Hasan, Mohammad Shaquiquzzaman, Mohammad Mumtaz Alam Dibenzepinones, dibenzoxepines and benzosuberones based p38α MAP kinase inhibitors: Their pharmacophore modelling, 3D-QSAR and docking studies. Search on Bibsonomy Comp. in Bio. and Med. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Víctor Sebastián-Pérez, María Jimena Martínez, Carmen Gil, Nuria E. Campillo, Ana Martínez, Ignacio Ponzoni QSAR Modelling to Identify LRRK2 Inhibitors for Parkinson's Disease. Search on Bibsonomy J. Integrative Bioinformatics The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Domenico Gadaleta, Kristijan Vukovic, Cosimo Toma, Giovanna J. Lavado, Agnes L. Karmaus, Kamel Mansouri, Nicole C. Kleinstreuer, Emilio Benfenati, Alessandra Roncaglioni SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data. Search on Bibsonomy J. Cheminformatics The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Kamel Mansouri, Neal F. Cariello, Alexandru Korotcov, Valery Tkachenko, Christopher M. Grulke, Catherine S. Sprankle, David G. Allen, Warren M. Casey, Nicole C. Kleinstreuer, Antony J. Williams Open-source QSAR models for pKa prediction using multiple machine learning approaches. Search on Bibsonomy J. Cheminformatics The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Nicolas Bosc, Francis Atkinson, Eloy Felix, Anna Gaulton, Anne Hersey, Andrew R. Leach Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery. Search on Bibsonomy J. Cheminformatics The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Kristijan Vukovic, Domenico Gadaleta, Emilio Benfenati Methodology of aiQSAR: a group-specific approach to QSAR modelling. Search on Bibsonomy J. Cheminformatics The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Shangjie Ai, Guanfei Lin, Yong Bai, Xiande Liu, Linghua Piao QSAR Classification-Based Virtual Screening Followed by Molecular Docking Identification of Potential COX-2 Inhibitors in a Natural Product Library. Search on Bibsonomy Journal of Computational Biology The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15Bello Abdullahi Umar, Adamu Uzairu, Gideon Adamu Shallangwa, Uba Sani QSAR modeling for the prediction of pGI50 activity of compounds on LOX IMVI cell line and ligand-based design of potent compounds using in silico virtual screening. Search on Bibsonomy NetMAHIB The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
15María Jimena Martínez, Julieta Sol Dussaut, Ignacio Ponzoni Biclustering as Strategy for Improving Feature Selection in Consensus QSAR Modeling. Search on Bibsonomy Electronic Notes in Discrete Mathematics The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Petar Zuvela, Jonathan David, Ming Wah Wong Interpretation of ANN-based QSAR models for prediction of antioxidant activity of flavonoids. Search on Bibsonomy Journal of Computational Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15David A. Winkler Sparse QSAR modelling methods for therapeutic and regenerative medicine. Search on Bibsonomy Journal of Computer-Aided Molecular Design The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Mohammad Amin Valizade Hasanloei, Razieh Sheikhpour, Mehdi Agha Sarram, Elnaz Sheikhpour, Hamdollah Sharifi A combined Fisher and Laplacian score for feature selection in QSAR based drug design using compounds with known and unknown activities. Search on Bibsonomy Journal of Computer-Aided Molecular Design The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Iván Olier, Noureddin Sadawi, G. Richard J. Bickerton, Joaquin Vanschoren, Crina Grosan, Larisa N. Soldatova, Ross D. King Meta-QSAR: a large-scale application of meta-learning to drug design and discovery. Search on Bibsonomy Machine Learning The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Oriol López-Massaguer, Ferran Sanz, Manuel Pastor An automated tool for obtaining QSAR-ready series of compounds using semantic web technologies. Search on Bibsonomy Bioinformatics The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Liang-Yong Xia, Qing-Yong Wang QSAR Classification Modeling for Bioactivity of Molecular Structure via SPL-Logsum. Search on Bibsonomy CoRR The full citation details ... 2018 DBLP  BibTeX  RDF
15M. Asadollahi-Baboli, S. Dehnavi Docking and QSAR analysis of tetracyclic oxindole derivatives as α-glucosidase inhibitors. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Adnane Aouidate, Adib Ghaleb, Mounir Ghamali, Abdellah Ousaa, M'barek Choukrad, Abdelouahid Sbai, Mohammed Bouachrine, Tahar Lakhlifi 3D QSAR studies, molecular docking and ADMET evaluation, using thiazolidine derivatives as template to obtain new inhibitors of PIM1 kinase. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Rajesh B. Patil, Euzébio G. Barbosa, Jaiprakash N. Sangshetti, Sanjay D. Sawant, Vishal P. Zambre LQTA-R: A new 3D-QSAR methodology applied to a set of DGAT1 inhibitors. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Wei Li, Xue Liu, Suleiman Muhammad, JiYue Shi, YanQiu Meng, Jian Wang 0019 Computational investigation of TGF-β receptor inhibitors for treatment of idiopathic pulmonary fibrosis: Field-based QSAR model and molecular dynamics simulation. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Burçin Türkmenoglu, Yahya Güzel Molecular docking and 4D-QSAR studies of metastatic cancer inhibitor thiazoles. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Ismail Daoud, Nadjib Melkemi, Toufik Salah, Said Ghalem Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Mladan Golubovic, Milan Lazarevic, Dragan Zlatanovic, Dane Krtinic, Viktor Stoickov, Bojan Mladenovic, Dragan J. Milic, Dusan Sokolovic, Aleksandar M. Veselinovic The anesthetic action of some polyhalogenated ethers - Monte Carlo method based QSAR study. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Deepak Reddy Gade, Amareswararao Makkapati, Rajesh Babu Yarlagadda, Godefridus J. Peters, B. S. Sastry, V. V. S. Rajendra Prasad Elucidation of chemosensitization effect of acridones in cancer cell lines: Combined pharmacophore modeling, 3D QSAR, and molecular dynamics studies. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15T. K. Shameera Ahamed, Vijisha K. Rajan, K. Sabira, K. Muraleedharan QSAR classification-based virtual screening followed by molecular docking studies for identification of potential inhibitors of 5-lipoxygenase. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Mingxing Wang, Ying Wang, Dejiang Kong, Hailun Jiang, Jian Wang 0019, Mao-Sheng Cheng In silico exploration of aryl sulfonamide analogs as voltage-gated sodium channel 1.7 inhibitors by using 3D-QSAR, molecular docking study, and molecular dynamics simulations. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Hong-Lian Li, Xiu-Bo Chen, Wen-Yan Jin, Hui Zhou, Ying Ma, Run-Ling Wang 3D QSAR Pharmacophore Based Virtual Screening for Identification of Potential Inhibitors for CDC25B. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Alla P. Toropova, Andrey A. Toropov CORAL: QSAR models for carcinogenicity of organic compounds for male and female rats. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
15Srilata Ballu, Ramesh Itteboina, Sree Kanth Sivan, Vijjulatha Manga Rational design of methicillin resistance staphylococcus aureus inhibitors through 3D-QSAR, molecular docking and molecular dynamics simulations. Search on Bibsonomy Computational Biology and Chemistry The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
Displaying result #1 - #100 of 767 (100 per page; Change: )
Pages: [1][2][3][4][5][6][7][8][>>]
Valid XHTML 1.1! Valid CSS! [Valid RSS]
Maintained by Jörg Diederich.
Based upon DBLP by Michael Ley.
open data data released under the ODC-BY 1.0 license