相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Novel therapeutic strategies targeting HIV integrase
Peter K. Quashie et al.
BMC MEDICINE (2012)
3-D QSAutogrid/R: An Alternative Procedure To Build 3-D QSAR Models. Methodologies and Applications
Flavio Ballante et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient
Nicola Chirico et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
Rationalizing fragment based drug discovery for BACE1: insights from FB-QSAR, FB-QSSR, multi objective (MO-QSPR) and MIF studies
Prabu Manoharan et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2010)
Twenty-Six Years of Anti-HIV Drug Discovery: Where Do We Stand and Where Do We Go?
Youcef Mehellou et al.
JOURNAL OF MEDICINAL CHEMISTRY (2010)
Coherently wired light-harvesting in photosynthetic marine algae at ambient temperature
Elisabetta Collini et al.
NATURE (2010)
Molecular structure input on the web
Peter Ertl
Journal of Cheminformatics (2010)
Anti-HIV drugs: 25 compounds approved within 25 years after the discovery of HIV
Erik De Clercq
INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS (2009)
Koln-Timisoara Molecular Activity Combined Models toward Interspecies Toxicity Assessment
Sergiu A. Chicu et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2009)
Electronegativity: Quantum Observable
Mihai V. Putz
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)
Chemical action and chemical bonding
Mihai V. Putz
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)
On Two Novel Parameters for Validation of Predictive QSAR Models
Partha Pratim Roy et al.
MOLECULES (2009)
Group-Based QSAR (G-QSAR): Mitigating Interpretation Challenges in QSAR
Subhash Ajmani et al.
QSAR & COMBINATORIAL SCIENCE (2009)
Exploring the impact of size of training sets for the development of predictive QSAR models
Partha Pratim Roy et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2008)
Knorr cyclizations and distonic superelectrophiles
Kiran Kumar Solingapuram Sai et al.
JOURNAL OF ORGANIC CHEMISTRY (2007)
On some aspects of validation of predictive quantitative structure-activity relationship models
Kunal Roy
EXPERT OPINION ON DRUG DISCOVERY (2007)
The influence of drug-like concepts on decision-making in medicinal chemistry
Paul D. Leeson et al.
NATURE REVIEWS DRUG DISCOVERY (2007)
Review on modelling aspects nn reversed-phase liquid chromatographic quantitative structure-retendon relationships
R. Put et al.
ANALYTICA CHIMICA ACTA (2007)
A spectral-SAR model for the anionic-cationic interaction in ionic liquids:: Application to Vibrio fischeri ecotoxicity
Ana-Maria Lacrama et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2007)
Electrophilicity and nucleophilicity index for radicals
Freija De Vleeschouwer et al.
ORGANIC LETTERS (2007)
Introducing spectral structure activity relationship (S-SAR) analysis. Application to ecotoxicology
Mihai V. Putz et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2007)
Principles of QSAR models validation: internal and external
Paola Gramatica
QSAR & COMBINATORIAL SCIENCE (2007)
On selection of training and test sets for the development of predictive QSAR models
JT Leonard et al.
QSAR & COMBINATORIAL SCIENCE (2006)
Systematic formulations for electronegativity and hardness and their atomic scales within density functional softness theory
MV Putz
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2006)
Electrophilicity index
Pratim Kumar Chattaraj et al.
CHEMICAL REVIEWS (2006)
About the Mulliken electronegativity in DFT
MV Putz et al.
THEORETICAL CHEMISTRY ACCOUNTS (2005)
Assessing QSAR Limitations - A Regulatory Perspective
Weida Tong et al.
CURRENT COMPUTER-AIDED DRUG DESIGN (2005)
Sizing DNA using a nanometer-diameter pore
JB Heng et al.
BIOPHYSICAL JOURNAL (2004)
On the applicability of the HSAB principle through the use of improved computational schemes for chemical hardness evaluation
MV Putz et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
In silico prediction of drug toxicity
JC Dearden
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2003)
Antiretroviral therapy of HIV-1 infection: established treatment strategies and new therapeutic options
GR Kaufmann et al.
CURRENT OPINION IN MICROBIOLOGY (2000)
Variational principles for describing chemical reactions: The Fukui function and chemical hardness revisited
PW Ayers et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
分享论文
