Search results for "QSAR"

Hits ?▲	Authors	Title	Venue	Year	Link
15	Shu-Shen Liu, Chun-Sheng Yin, Zhi-Liang Li, Shao-Xi Cai	QSAR Study of Steroid Benchmark and Dipeptides Based on MEDV-13.	J. Chem. Inf. Comput. Sci.	2001	DBLP DOI BibTeX RDF
15	Mary P. Bradley, Chris L. Waller	Polarizability Fields for Use in Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR).	J. Chem. Inf. Comput. Sci.	2001	DBLP DOI BibTeX RDF
15	Miguel Murcia-Soler, Facundo Pérez-Giménez, Ricardo Nalda-Molina, M. Teresa Salabert-Salvador, Francisco J. García-March, Rosa Ana Cercós-del-Pozo, Teresa M. Garrigues	QSAR Analysis of Hypoglycemic Agents Using the Topological Indices.	J. Chem. Inf. Comput. Sci.	2001	DBLP DOI BibTeX RDF
15	Jarmo Huuskonen	QSAR Modeling with the Electrotopological State: TIBO Derivatives.	J. Chem. Inf. Comput. Sci.	2001	DBLP DOI BibTeX RDF
15	Milan Randic, Subhash C. Basak	On Use of the Variable Connectivity Index 1f in QSAR: Toxicity of Aliphatic Ethers.	J. Chem. Inf. Comput. Sci.	2001	DBLP DOI BibTeX RDF
15	Ronan Bureau, Cyril Daveu, Isabelle Baglin, Jana Sopkova-de Oliveira Santos, Jean-Charles Lancelot, Sylvain Rault	Association of Two 3D QSAR Analyses. Application to the Study of Partial Agonist Serotonin-3 Ligands.	J. Chem. Inf. Comput. Sci.	2001	DBLP DOI BibTeX RDF
15	Malini Ravi, Anton J. Hopfinger, Robert E. Hormann, Laurence Dinan	4D-QSAR Analysis of a Set of Ecdysteroids and a Comparison to CoMFA Modeling.	J. Chem. Inf. Comput. Sci.	2001	DBLP DOI BibTeX RDF
15	Wolfgang Sippl	Receptor-based 3D QSAR analysis of estrogen receptor ligands - merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods.	J. Comput. Aided Mol. Des.	2000	DBLP DOI BibTeX RDF
15	David B. Turner, Peter Willett 0002	Evaluation of the EVA descriptor for QSAR studies: 3. The use of a genetic algorithm to search for models with enhanced predictive properties (EVA_GA).	J. Comput. Aided Mol. Des.	2000	DBLP DOI BibTeX RDF
15	Xavier Gironés, Lluís Amat, David Robert, Ramon Carbó-Dorca	Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies.	J. Comput. Aided Mol. Des.	2000	DBLP DOI BibTeX RDF
15	Takahiro Suzuki, Masaru Ishida, Walter M. F. Fabian	Classical QSAR and comparative molecular field analyses of the host-guest interaction of organic molecules with cyclodextrins.	J. Comput. Aided Mol. Des.	2000	DBLP DOI BibTeX RDF
15	Emanuela Gancia, Gianpaolo Bravi, Paolo Mascagni, Andrea Zaliani	Global 3D-QSAR methods: MS-WHIM and autocorrelation.	J. Comput. Aided Mol. Des.	2000	DBLP DOI BibTeX RDF
15	Keigo Gohda, Ichiro Mori, Daisaku Ohta, Takeshi Kikuchi	A CoMFA analysis with conformational propensity: An attempt to analyze the SAR of a set of molecules with different conformational flexibility using a 3D-QSAR method.	J. Comput. Aided Mol. Des.	2000	DBLP DOI BibTeX RDF
15	Juan José Lozano, Manuel Pastor, Gabriele Cruciani, Katrin Gaedt, Nuria B. Centeno, Federico Gago, Ferran Sanz	3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands.	J. Comput. Aided Mol. Des.	2000	DBLP DOI BibTeX RDF
15	Salvatore Guccione, Arthur M. Doweyko, Hongming Chen, Gloria Uccello Barretta, Federica Balzano	3D-QSAR using 'Multiconformer' alignment: The use of HASL in the analysis of 5-HT1A thienopyrimidinone ligands.	J. Comput. Aided Mol. Des.	2000	DBLP DOI BibTeX RDF
15	Florence L. Stahura, Jeffrey W. Godden, Ling Xue, Jürgen Bajorath	Distinguishing between Natural Products and Synthetic Molecules by Descriptor Shannon Entropy Analysis and Binary QSAR Calculations.	J. Chem. Inf. Comput. Sci.	2000	DBLP DOI BibTeX RDF
15	Jonathan J. Sullivan, A. Daniel Jones, Kenneth K. Tanji	QSAR Treatment of Electronic Substituent Effects Using Frontier Orbital Theory and Topological Parameters.	J. Chem. Inf. Comput. Sci.	2000	DBLP DOI BibTeX RDF
15	Alexander Golbraikh	Molecular Dataset Diversity Indices and Their Applications to Comparison of Chemical Databases and QSAR Analysis.	J. Chem. Inf. Comput. Sci.	2000	DBLP DOI BibTeX RDF
15	Xavier Gironés, Ana Gallegos Saliner, Ramon Carbó-Dorca	Modeling Antimalarial Activity: Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR.	J. Chem. Inf. Comput. Sci.	2000	DBLP DOI BibTeX RDF
15	Danail Bonchev	Overall Connectivities/Topological Complexities: A New Powerful Tool for QSPR/QSAR.	J. Chem. Inf. Comput. Sci.	2000	DBLP DOI BibTeX RDF
15	Alexandru T. Balaban	Comparative QSAR Edited by James Devillers. Taylor & Francis, Washington, DC, 1998, ix + 371 pp. ISBN 1-56032-716-2.	J. Chem. Inf. Comput. Sci.	2000	DBLP DOI BibTeX RDF
15	Vladimir A. Palyulin, Eugene V. Radchenko, Nikolai S. Zefirov	Molecular Field Topology Analysis Method in QSAR Studies of Organic Compounds.	J. Chem. Inf. Comput. Sci.	2000	DBLP DOI BibTeX RDF
15	Mehdi Jalali-Heravi, Farahnaz Parastar	Use of Artificial Neural Networks in a QSAR Study of Anti-HIV Activity for a Large Group of HEPT Derivatives.	J. Chem. Inf. Comput. Sci.	2000	DBLP DOI BibTeX RDF
15	Manorama Mandloi, Arun Sikarwar, Nitin S. Sapre, Sneha Karmarkar, Padmakar V. Khadikar	A Comparative QSAR Study Using Wiener, Szeged, and Molecular Connectivity Indices.	J. Chem. Inf. Comput. Sci.	2000	DBLP DOI BibTeX RDF
15	Frank R. Burden, Martyn G. Ford, David C. Whitley, David A. Winkler	Use of Automatic Relevance Determination in QSAR Studies Using Bayesian Neural Networks.	J. Chem. Inf. Comput. Sci.	2000	DBLP DOI BibTeX RDF
15	Ovidiu Ivanciuc	QSAR Comparative Study of Wiener Descriptors for Weighted Molecular Graphs.	J. Chem. Inf. Comput. Sci.	2000	DBLP DOI BibTeX RDF
15	Subhash C. Basak, Brian D. Gute, Bono Lucic, Sonja Nikolic, Nenad Trinajstic	A Comparative QSAR Study of Benzamidines Complement-inhibitory Activity and Benzene Derivatives Acute Toxicity.	Comput. Chem.	2000	DBLP DOI BibTeX RDF
15	Rozália Vanyúr, Károly Héberger, István Kövesdi, Judit Jakus	Prediction of Photosensitizers Activity in Photodynamic Therapy Using Artificial Neural Networks: A 3D - QSAR Study.	ANNIMAB	2000	DBLP DOI BibTeX RDF
15	David W. Opitz, Subhash C. Basak, G. Prabu, Denise R. Mills	Hazard Assessment Modeling: A Hierarchical QSAR Approach.	Artificial Intelligence and Soft Computing	2000	DBLP BibTeX RDF
15	Gordon M. Crippen	VRI: 3D QSAR at variable resolution.	J. Comput. Chem.	1999	DBLP DOI BibTeX RDF
15	David B. Turner, Peter Willett 0002, Allan M. Ferguson, Trevor W. Heritage	Evaluation of a novel molecular vibration-based descriptor (EVA) for QSAR studies: 2. Model validation using a benchmark steroid dataset.	J. Comput. Aided Mol. Des.	1999	DBLP DOI BibTeX RDF
15	Peter A. Hunt	QSAR using 2D descriptors and TRIPOS SIMCA.	J. Comput. Aided Mol. Des.	1999	DBLP DOI BibTeX RDF
15	Tanaji T. Talele, Vithal M. Kulkarni	Three-Dimensional Quantitative Structure-Activity Relationship (QSAR) and Receptor Mapping of Cytochrome P-45014DM Inhibiting Azole Antifungal Agents1.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	Prabha Venkatarangan, Anton J. Hopfinger	Prediction of Ligand-Receptor Binding Free Energy by 4D-QSAR Analysis: Application to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	John C. Dearden, Taravat Ghafourian	Hydrogen Bonding Parameters for QSAR: Comparison of Indicator Variables, Hydrogen Bond Counts, Molecular Orbital and Other Parameters.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	Frank R. Burden, David A. Winkler	New QSAR Methods Applied to Structure-Activity Mapping and Combinatorial Chemistry.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	Yenamandra S. Prabhakar	Analysis of Tetrahedral Carbon in QSAR Studies. A Case Study Using 3-Hydroxy-3-methylglutaryl-Coenzyme A Reductase Inhibitors.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	Malcolm J. McGregor, Steven M. Muskal	Pharmacophore Fingerprinting. 1. Application to QSAR and Focused Library Design.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	Andrea Zaliani, Emanuela Gancia	MS-WHIM Scores for Amino Acids: A New 3D-Description for Peptide QSAR and QSPR Studies.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	David T. Stanton	Evaluation and Use of BCUT Descriptors in QSAR and QSPR Studies.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	Ernesto Estrada	Edge-Connectivity Indices in QSPR/QSAR Studies, 2. Accounting for Long-Range Bond Contributions.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	Anton J. Hopfinger, Andrea Reaka, Prabha Venkatarangan, José S. Duca, Shen Wang	Construction of a Virtual High Throughput Screen by 4D-QSAR Analysis: Application to a Combinatorial Library of Glucose Inhibitors of Glycogen Phosphorylase b.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	Romualdo Benigni, Laura Passerini, David J. Livingstone, Mark A. Johnson, Alessandro Giuliani	Infrared Spectra Information and Their Correlation with QSAR Descriptors.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	Ernesto Estrada, Lissette Rodríguez	Edge-Connectivity Indices in QSPR/QSAR Studies, 1. Comparison to Other Topological Indices in QSPR Studies.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	Hua Gao, Christopher I. Williams, Paul Labute, Jürgen Bajorath	Binary Quantitative Structure-Activity Relationship (QSAR) Analysis of Estrogen Receptor Ligands.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	Bono Lui, Nenad Trinajstic	Multivariate Regression Outperforms Several Robust Architectures of Neural Networks in QSAR Modeling.	J. Chem. Inf. Comput. Sci.	1999	DBLP DOI BibTeX RDF
15	Paul Labute	Binary QSAR: A New Method for the Determination of Quantitative Structure Activity Relationships.	Pacific Symposium on Biocomputing	1999	DBLP BibTeX RDF
15	Lluís Amat, Ramon Carbó-Dorca, Robert Ponec	Molecular quantum similarity measures as an alternative to log P values in QSAR studies.	J. Comput. Chem.	1998	DBLP DOI BibTeX RDF
15	Ross D. King, Ashwin Srinivasan 0001	The discovery of indicator variables for QSAR using inductive logic programming.	J. Comput. Aided Mol. Des.	1998	DBLP BibTeX RDF
15	Jonas Nilsson, Evert J. Homan, Age K. Smilde, Cor J. Grol, Håkan Wikstrüm	A multiway 3D QSAR analysis of a series of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides.	J. Comput. Aided Mol. Des.	1998	DBLP DOI BibTeX RDF
15	Arthur F. Duprat, T. Huynh, Gérard Dreyfus	Toward a Principled Methodology for Neural Network Design and Performance Evaluation in QSAR. Application to the Prediction of LogP.	J. Chem. Inf. Comput. Sci.	1998	DBLP DOI BibTeX RDF
15	Toshiro Kimura, Kiyoshi Hasegawa, Kimito Funatsu	GA Strategy for Variable Selection in QSAR Studies: GA-Based Region Selection for CoMFA Modeling.	J. Chem. Inf. Comput. Sci.	1998	DBLP DOI BibTeX RDF
15	Thierry Langer, Rémy D. Hoffmann	On the Use of Chemical Function-Based Alignments as Input for 3D-QSAR.	J. Chem. Inf. Comput. Sci.	1998	DBLP DOI BibTeX RDF
15	A. E. Medvedev, A. V. Veselovsky, V. I. Shvedov, O. V. Tikhonova, T. A. Moskvitina, O. A. Fedotova, L. N. Axenova, N. S. Kamyshanskaya, A. Z. Kirkel, Alexis S. Ivanov	Inhibition of Monoamine Oxidase by Pirlindole Analogues: 3D-QSAR and CoMFA Analysis.	J. Chem. Inf. Comput. Sci.	1998	DBLP DOI BibTeX RDF
15	Sung Jin Cho, Weifan Zheng, Alexander Tropsha	Rational Combinatorial Library Design. 2. Rational Design of Targeted Combinatorial Peptide Libraries Using Chemical Similarity Probe and the Inverse QSAR Approaches.	J. Chem. Inf. Comput. Sci.	1998	DBLP DOI BibTeX RDF
15	Leming M. Shi, Yi Fan, Timothy G. Myers 0001, Patrick M. O'Connor, Kenneth D. Paull, Stephen H. Friend, John N. Weinstein	Mining the NCI Anticancer Drug Discovery Databases: Genetic Function Approximation for the QSAR Study of Anticancer Ellipticine Analogues.	J. Chem. Inf. Comput. Sci.	1998	DBLP DOI BibTeX RDF
15	Dragan Amic, Dusanka Davidovic-Amic, Drago Beslo, Bono Lucic, Nenad Trinajstic	QSAR of Flavylium Salts as Inhibitors of Xanthine Oxidase.	J. Chem. Inf. Comput. Sci.	1998	DBLP DOI BibTeX RDF
15	Lluís Amat, David Robert, Emili Besalú, Ramon Carbó-Dorca	Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study.	J. Chem. Inf. Comput. Sci.	1998	DBLP DOI BibTeX RDF
15	David B. Turner, Peter Willett 0002, Allan M. Ferguson, Trevor W. Heritage	Evaluation of a novel infrared range vibration-based descriptor (EVA) for QSAR studies. 1. General application.	J. Comput. Aided Mol. Des.	1997	DBLP DOI BibTeX RDF
15	Allan M. Ferguson, Trevor W. Heritage, P. Jonathon, S. E. Pack, L. Phillips, J. Rogan, P. J. Snaith	EVA: A new theoretically based molecular descriptor for use in QSAR/QSPR analysis.	J. Comput. Aided Mol. Des.	1997	DBLP DOI BibTeX RDF
15	Ross D. King, Ashwin Srinivasan 0001	The discovery of indicator variables for QSAR using inductive logic programming.	J. Comput. Aided Mol. Des.	1997	DBLP DOI BibTeX RDF
15	Gianpaolo Bravi, Emanuela Gancia, Paolo Mascagni, Monica Pegna, Roberto Todeschini, Andrea Zaliani	MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: A comparative 3D QSAR study in a series of steroids.	J. Comput. Aided Mol. Des.	1997	DBLP DOI BibTeX RDF
15	Paddy O'Hara-Mays	Genetic Algorithms in Molecular Modeling. Edited by James Devillers. Principles of QSAR and Drug Design, Volume 1. Academic Press, Harcourt Brace & Company: New York, 1996, 327 pp, ISBN 0-12-213810-4.	J. Chem. Inf. Comput. Sci.	1997	DBLP DOI BibTeX RDF
15	Ernesto Estrada	Spectral Moments of the Edge-Adjacency Matrix of Molecular Graphs, 2. Molecules Containing Heteroatoms and QSAR Applications.	J. Chem. Inf. Comput. Sci.	1997	DBLP DOI BibTeX RDF
15	J. S. Tokarski, Anton J. Hopfinger	Prediction of Ligand-Receptor Binding Thermodynamics by Free Energy Force Field (FEFF) 3D-QSAR Analysis: Application to a Set of Peptidometic Renin Inhibitors.	J. Chem. Inf. Comput. Sci.	1997	DBLP DOI BibTeX RDF
15	Daniel M. C. Domine, James Devillers, Dietrich Wienke, Lutgarde M. C. Buydens	ART 2-A for Optimal Test Series Design in QSAR.	J. Chem. Inf. Comput. Sci.	1997	DBLP DOI BibTeX RDF
15	Gordon G. Cash	Classical and Three-Dimensional QSAR in Agro-chemistry. Edited by Corwin Hansch and Toshio Fujita. ACS Symposium Series 606. American Chemical Society: Washington, 1995, x + 342 pp, ISBN 0-8412-3321-7.	J. Chem. Inf. Comput. Sci.	1997	DBLP DOI BibTeX RDF
15	Subhash C. Basak, Brian D. Gute, Gregory D. Grunwald	Use of Topostructural, Topochemical, and Geometric Parameters in the Prediction of Vapor Pressure: A Hierarchical QSAR Approach.	J. Chem. Inf. Comput. Sci.	1997	DBLP DOI BibTeX RDF
15	Juan M. Luco, Ferdinando H. Ferretti	QSAR Based on Multiple Linear Regression and PLS Methods for the Anti-HIV Activity of a Large Group of HEPT Derivatives.	J. Chem. Inf. Comput. Sci.	1997	DBLP DOI BibTeX RDF
15	Kiyoshi Hasegawa, Yoshikatsu Miyashita, Kimito Funatsu	GA Strategy for Variable Selection in QSAR Studies: GA-Based PLS Analysis of Calcium Channel Antagonists.	J. Chem. Inf. Comput. Sci.	1997	DBLP DOI BibTeX RDF
15	Martin G. Grigorov, Jacques Weber, Jean M. J. Tronchet, Charles W. Jefford, Wilburn K. Milhous, Djordje Maric	A QSAR Study of the Antimalarial Activity of Some Synthetic 1, 2, 4-Trioxanes.	J. Chem. Inf. Comput. Sci.	1997	DBLP DOI BibTeX RDF
15	Mijo Vedrina, Stribor Markovi, Marica Medi-ari, Nenad Trinajstic	TAM: A Program for the Calculation of Topological Indices in QSPR and QSAR Studies.	Comput. Chem.	1997	DBLP DOI BibTeX RDF
15	Laura Belvisi, Gianpaolo Bravi, Giovanna Catalano, Massimo Mabilia, Aldo Salimbeni, Carlo Scolastico	A 3D QSAR CoMFA study of non-peptide angiotensin II receptor antagonists.	J. Comput. Aided Mol. Des.	1996	DBLP DOI BibTeX RDF
15	Carlos Alberto Montanari, M. S. Tute, A. E. Beezer, Julie C. Mitchell	Determination of receptor-bound drug conformations by QSAR using flexible fitting to derive a molecular similarity index.	J. Comput. Aided Mol. Des.	1996	DBLP DOI BibTeX RDF
15	Glen Eugene Kellogg, Lemont B. Kier, Patrick Gaillard, Lowell H. Hall	E-state fields: Applications to 3D QSAR.	J. Comput. Aided Mol. Des.	1996	DBLP DOI BibTeX RDF
15	Milan Soskic, Dejan Plavsic, Nenad Trinajstic	2-Difluoromethylthio-4, 6-bis(monoalkylamino)-1, 3, 5-triazines as Inhibitors of Hill Reaction: A QSAR Study with Orthogonalized Descriptors.	J. Chem. Inf. Comput. Sci.	1996	DBLP DOI BibTeX RDF
15	Ernesto Estrada, Alain Ramírez	Edge Adjacency Relationships and Molecular Topographic Descriptors. Definition and QSAR Applications.	J. Chem. Inf. Comput. Sci.	1996	DBLP DOI BibTeX RDF
15	A. E. Medvedev, Alexis S. Ivanov, A. V. Veselovsky, Vladlen S. Skvortsov, Alexander I. Archakov	QSAR Analysis of Indole Analogues as Monoamine Oxidase Inhibitors.	J. Chem. Inf. Comput. Sci.	1996	DBLP DOI BibTeX RDF
15	K.-B. Rhyu, H. C. Patel, Anton J. Hopfinger	A 3D-QSAR Study of Anticoccidial Triazines Using Molecular Shape Analysis [J. Chem. Inf. Comput. Sci 35, 771-778 (1995)].	J. Chem. Inf. Comput. Sci.	1996	DBLP DOI BibTeX RDF
15	Gordon G. Cash	Exploring QSAR. By Corwin Hansch, Albert Leo, and David Hoekman. American Chemical Society, Washington, DC, 1995, 2 Vols.	J. Chem. Inf. Comput. Sci.	1996	DBLP DOI BibTeX RDF
15	Lowell H. Hall, C. T. Story	Boiling Point and Critical Temperature of a Heterogeneous Data Set: QSAR with Atom Type Electrotopological State Indices Using Artificial Neural Networks.	J. Chem. Inf. Comput. Sci.	1996	DBLP DOI BibTeX RDF
15	K.-B. Rhyu, H. C. Patel, Anton J. Hopfinger	A 3D-QSAR Study of Anticoccidial Triazines Using Molecular Shape Analysis.	J. Chem. Inf. Comput. Sci.	1995	DBLP DOI BibTeX RDF
15	Laura Belvisi, Gianpaolo Bravi, Carlo Scolastico, Anna Vulpetti, Aldo Salimbeni, Roberto Todeschini	A 3D QSAR approach to the search for geometrical similarity in a series of nonpeptide angiotensin II receptor antagonists.	J. Comput. Aided Mol. Des.	1994	DBLP DOI BibTeX RDF
15	Patrick Gaillard, Pierre-Alain Carrupt, Bernard Testa, Alain Boudon	Molecular Lipophilicity Potential, a tool in 3D QSAR: Method and applications.	J. Comput. Aided Mol. Des.	1994	DBLP DOI BibTeX RDF
15	Kiyoshi Hasegawa, Takeo Deushi, Hiroshi Yoshida, Yoshikatsu Miyashita, Shin-ichi Sasaki	Chemometric QSAR studies of antifungal azoxy compounds.	J. Comput. Aided Mol. Des.	1994	DBLP DOI BibTeX RDF
15	Bruno Bienfait	Applications of High-Resolution Self-Organizing Maps to Retrosynthetic and QSAR Analysis.	J. Chem. Inf. Comput. Sci.	1994	DBLP DOI BibTeX RDF
15	Manuel Pastor, Julio Alvarez-Builla	New Developments of EDISFAR Programs. Experimental Design in QSAR Practice.	J. Chem. Inf. Comput. Sci.	1994	DBLP DOI BibTeX RDF
15	Peter I. Nagy, John Tokarski, Anton J. Hopfinger	Molecular Shape and QSAR Analyses of a Family of Substituted Dichlorodiphenyl Aromatase Inhibitors.	J. Chem. Inf. Comput. Sci.	1994	DBLP DOI BibTeX RDF
15	David Hoekman, Albert J. Leo, Peng Li, Litai Zhang, Corwin Hansch	A Comprehensive Approach to Database Management of Quantitative Structure-Activity Relationships (QSAR) in Chemistry and Biology.	HICSS (5)	1994	DBLP BibTeX RDF
15	Atul Agarwal, Ethan Will Taylor	3-D QSAR for intrinsic activity of 5-HT1A receptor ligands by the method of comparative molecular field analysis.	J. Comput. Chem.	1993	DBLP DOI BibTeX RDF
15	Ulf Norinder	A PLS QSAR analysis using 3D generated aromatic descriptors of principal property type: Application to some dopamine D2 benzamide antagonists.	J. Comput. Aided Mol. Des.	1993	DBLP DOI BibTeX RDF
15	Juan Ruiz, Manuel López, Josefa Milà, Estrella Lozoya, Juan José Lozano, Ramon Pouplana	QSAR and conformational analysis of the antiinflammatory agent amfenac and analogues.	J. Comput. Aided Mol. Des.	1993	DBLP DOI BibTeX RDF
15	Thierry Langer, Camille G. Wermuth	Inhibitors of prolyl endopeptidase: Characterization of the pharmacophoric pattern using conformational analysis and 3D-QSAR.	J. Comput. Aided Mol. Des.	1993	DBLP DOI BibTeX RDF
15	Alan R. Katritzky, Ekaterina Gordeeva	Traditional topological indexes vs electronic, geometrical, and combined molecular descriptors in QSAR/QSPR research.	J. Chem. Inf. Comput. Sci.	1993	DBLP DOI BibTeX RDF
15	Mariya I. Skvortsova, Igor I. Baskin, Olga L. Slovokhotova, Vladimir A. Palyulin, Nikolai S. Zefirov	Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices).	J. Chem. Inf. Comput. Sci.	1993	DBLP DOI BibTeX RDF
15	Marc C. Nicklaus, George W. A. Milne, Terrence R. Burke Jr.	QSAR of conformationally flexible molecules: Comparative molecular field analysis of protein-tyrosine kinase inhibitors.	J. Comput. Aided Mol. Des.	1992	DBLP DOI BibTeX RDF
15	Serge S. Tratch, O. A. Lomova, D. V. Sukhachev, Vladimir A. Palyulin, Nikolai S. Zefirov	Generation of molecular graphs for QSAR studies: an approach based on acyclic fragment combinations.	J. Chem. Inf. Comput. Sci.	1992	DBLP DOI BibTeX RDF
15	Lu Xu, Hua-Yun Wang, Qiang Su	A Newly Proposed Molecular Topological Index for the Discrimination of Cis/trans Isomers and for the Studies of QSAR/QSPR.	Comput. Chem.	1992	DBLP DOI BibTeX RDF
15	Ulf Norinder	3-D QSAR analysis of steroid/protein interactions: The use of difference maps.	J. Comput. Aided Mol. Des.	1991	DBLP DOI BibTeX RDF
15	Ulf Norinder	Experimental design based 3-D QSAR analysis of steroid-protein interactions: Application to human CBG complexes.	J. Comput. Aided Mol. Des.	1990	DBLP DOI BibTeX RDF