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Volume 28; Issue 11-12
Main
Molecular Informatics
Volume 28; Issue 11-12
Molecular Informatics
Volume 28; Issue 11-12
1
QSPR Study on the Melting Points of a Diverse Set of Potential Ionic Liquids by Projection Pursuit Regression
Yueying Ren
,
Jin Qin
,
Huanxiang Liu
,
Xiaojun Yao
,
Mancang Liu
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 366 KB
Your tags:
english, 2009
2
Artificial Neural Network-Based Quantitative Structural Property Relationship for Predicting Boiling Points of Refrigerants
Jahanbakhsh Ghasemi
,
Saadi Saaidpour
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 282 KB
Your tags:
english, 2009
3
Application of Computational Chemistry in Characterization of Solid Phase Microextraction Fibers for Selective Sorption of Drugs
Alicja Nowaczyk
,
Jacek Nowaczyk
,
Tomasz Ligor
,
Bogusław Buszewski
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 447 KB
Your tags:
english, 2009
4
Generation and Analysis of Interaction Energy Maps of p-Substituted Benzoic Acid [(5-Nitro-thiophen-2-yl)-methylene]- Hydrazides Active against MRSA
Andrea Masunari
,
Ieda Yuriko Sonehara
,
Kerly Fernanda Mesquita Pasqualoto
,
Leoberto Costa Tavares
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 228 KB
Your tags:
english, 2009
5
Quantitative Structure Activity Relationship Analysis of Dicationic Diphenylisoxazole as Potent Anti-Trypanosomal Agents
Sarvesh Paliwal
,
Ankita Narayan
,
Shailendra Paliwal
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 160 KB
Your tags:
english, 2009
6
Hydroxamic Acids Analogous Against Breast Cancer Cells: 2D-QSAR and 3D-QSAR Studies
Ram Prakash Rajwade
,
Rama Pande
,
K. P. Mishra
,
Amit Kumar
,
B. N. Pandey
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 416 KB
Your tags:
english, 2009
7
Estimation of Aqueous-Phase Reaction Rate Constants of Hydroxyl Radical with Phenols, Alkanes and Alcohols
Ya-nan Wang
,
Jingwen Chen
,
Xuehua Li
,
Siyu Zhang
,
Xianliang Qiao
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 281 KB
Your tags:
english, 2009
8
Predictive 3D-Quantitative Structure-Activity Relationship for A1 and A2A Adenosine Receptor Ligands
Olga Yuzlenko
,
Anna Drabczyńska
,
Katarzyna Kieć-Kononowicz
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 933 KB
Your tags:
english, 2009
9
Structure-Based Design of Benzoxazoles as new Inhibitors for D-Alanyl – D-Alanine Ligase
Isabelle Tytgat
,
Stéphane Vandevuer
,
Isabelle Ortmans
,
Finton Sirockin
,
Evelina Colacino
,
Françoise Van Bambeke
,
Colette Duez
,
Jacques H. Poupaert
,
Paul M. Tulkens
,
Annick Dejaegere
,
Martine Prévost
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 513 KB
Your tags:
english, 2009
10
Use of Kernel Orthogonal Projection to Latent Structure in Modeling of Retention Indices of Pesticides
Mehdi Jalali-Heravi
,
Heshmatollah Ebrahimi-Najafabadi
,
Akram Khodabandehloo
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 376 KB
Your tags:
english, 2009
11
Prediction of Ion Drift Times for a Proteome-Wide Peptide Set Using Partial Least Squares Regression, Least-Squares Support Vector Machine and Gaussian Process
Xiuhong Liu
,
Jun Liang
,
Jicai Fan
,
Zhicai Shang
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 266 KB
Your tags:
english, 2009
12
Docking Study and Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR) Analyses of Transforming Growth Factor-β Type I Receptor Kinase Inhibitors
Min Yang
,
Lu Zhou
,
Zhili Zuo
,
Ricardo Mancera
,
Hang Song
,
Xiangyang Tang
,
Xiang Ma
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 755 KB
Your tags:
english, 2009
13
Prediction of HIV-1 Protease Inhibitors Using Machine Learning Approaches
Hanbing Rao
,
Guobing Yang
,
Ningxin Tan
,
Ping Li
,
Zerong Li
,
Xiangyuan Li
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 287 KB
Your tags:
english, 2009
14
Quantitative Structure-Activity Relationship (QSAR) Study with a Series of 17α-Derivatives of Estradiol: Model for the Development of Reversible Steroid Sulfatase Inhibitors
René Maltais
,
Diane Fournier
,
Donald Poirier
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 627 KB
Your tags:
english, 2009
15
Pharmacophore Guided 3D-QSAR CoMFA Analysis of Amino Substituted Nitrogen Heterocycle Ureas as KDR Inhibitors
Xiaoyun Lu
,
Yadong Chen
,
Qidong You
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 1.14 MB
Your tags:
english, 2009
16
Molecular Modeling and Receptor-Dependent (RD) 3D-QSAR Approach to a Set of Antituberculosis Derivatives
Kerly Fernanda Mesquita Pasqualoto
,
Márcia Miguel Castro Ferreira
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 543 KB
Your tags:
english, 2009
17
Combination of Ant Colony Optimization with Various Local Search Strategies. A Novel Method for Variable Selection in Multivariate Calibration and QSPR Study
Mojtaba Shamsipur
,
Vali Zare-Shahabadi
,
Bahram Hemmateenejad
,
Morteza Akhond
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 309 KB
Your tags:
english, 2009
18
Quantitative Structure-Retention Relationship Study of Mercapto-Compounds by the Method of Dividing the Molecular Structure into Substructure
Fengping Liu
,
Chenzhong Cao
,
Xun Li
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 255 KB
Your tags:
english, 2009
19
Understanding the Aquatic Toxicity of Pesticide: Structure-Activity Relationship and Molecular Descriptors to Distinguish the Ratings of Toxicity
Gaoxue Wang
,
Yan Li
,
Xiaolin Liu
,
Yonghua Wang
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 461 KB
Your tags:
english, 2009
20
Generation of Selective TACE Inhibitors: Ligand and Structure Based Molecular Modeling, Virtual Screening, Counter Pharmacophore Screening to Get Selective Molecules
Malkeet Singh Bahia
,
Om Silakari
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 1.11 MB
Your tags:
english, 2009
21
Multi-Objective Feature Selection in QSAR Using a Machine Learning Approach
Axel J. Soto
,
Rocío L. Cecchini
,
Gustavo E. Vazquez
,
Ignacio Ponzoni
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 417 KB
Your tags:
english, 2009
22
Interactions of Indole Derivatives with Immobilized 3,5-Dinitrobenzoyl-Phenylglycine
Milan Šoškić
,
Volker Magnus
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 228 KB
Your tags:
english, 2009
23
Three-Dimensional Quantitative Structure-Activity Relationship Study of Antitumor 2-Formylpyridine Thiosemicarbazones Derivatives as Inhibitors of Ribonucleotide Reductase
Hamilton Mitsugu Ishiki
,
Antonia T. do Amaral
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 531 KB
Your tags:
english, 2009
24
Bayesian Inference Network Significantly Improves the Effectiveness of Similarity Searching Using Multiple 2D Fingerprints and Multiple Reference Structures
Ammar Abdo
,
Naomie Salim
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 355 KB
Your tags:
english, 2009
25
Synthesis, Antimycobacterial Activity and 3-D QSAR Studies of Some New Derivatives of p-Hydroxybenzohydrazide
Ritesh. P. Bhole
,
Kishore P. Bhusari
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 354 KB
Your tags:
english, 2009
26
Anticonvulsant Activity of Ringed Enaminones: A QSAR Study
Juan C. Garro Martinez
,
Pablo R. Duchowicz
,
Mario R. Estrada
,
Graciela N. Zamarbide
,
Eduardo Castro
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 587 KB
Your tags:
english, 2009
27
Scaffold Diversity Analysis of Compound Data Sets Using an Entropy-Based Measure
Jose L. Medina-Franco
,
Karina Martínez-Mayorga
,
Andreas Bender
,
Thomas Scior
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 408 KB
Your tags:
english, 2009
28
Is Feature Selection Essential for ANN Modeling?
Mohammad Goodarzi
,
Shreekant Deshpande
,
Vanangamudi Murugesan
,
Seturam B. Katti
,
Yenamandra S. Prabhakar
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 479 KB
Your tags:
english, 2009
29
Applications of Bond-Based 3D-Chiral Quadratic Indices in QSAR Studies Related to Central Chirality Codification
Juan A. Castillo-Garit
,
Yovani Marrero-Ponce
,
Francisco Torrens
,
Ramon García-Domenech
,
J. Enrique Rodríguez-Borges
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 358 KB
Your tags:
english, 2009
30
Selection of Appropriate Training Set of Chemicals for Modeling Dermal Permeability Using Uniform Coverage Design
Vikrant Vijay
,
Ronald E. Baynes
,
S. Stanley Young
,
Jim E. Riviere
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 186 KB
Your tags:
english, 2009
31
Abstracts of QSAR-related Publications: Review
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 85 KB
Your tags:
english, 2009
32
Abstracts of QSAR-related Publications: Theoretical
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 257 KB
Your tags:
english, 2009
33
Abstracts of QSAR-related Publications: Pharmacology
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 317 KB
Your tags:
english, 2009
34
Abstracts of QSAR-related Publications: Agrochemistry
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 177 KB
Your tags:
english, 2009
35
Abstracts of QSAR-related Publications: ADME, Toxicology
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 187 KB
Your tags:
english, 2009
36
Abstracts of QSAR-related Publications: Data Base, Virtual Screening
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 315 KB
Your tags:
english, 2009
37
Abstracts of QSAR-related Publications: 3-D QSAR
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 1.29 MB
Your tags:
english, 2009
38
Abstracts of QSAR-related Publications: Molecular Modeling
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 515 KB
Your tags:
english, 2009
39
A Bibliometric Study of Quantitative Structure-Activity Relationships and QSAR & Combinatorial Science
Peter Willett
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 133 KB
Your tags:
english, 2009
40
Cover Picture: QSAR Comb. Sci. 11-12/2009
Journal:
Molecular Informatics
Year:
2009
File:
PDF, 540 KB
Your tags:
2009
41
Editorial: Good-bye QSAR & Combinatorial Science
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 120 KB
Your tags:
english, 2009
42
Contents: QSAR Comb. Sci. 11-12/2009
Journal:
Molecular Informatics
Year:
2009
Language:
english
File:
PDF, 176 KB
Your tags:
english, 2009
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