Variational principles for mechanistic quantitative structure–activity relationship (QSAR) studies: application on uracil derivatives’ anti-HIV action

Novel therapeutic strategies targeting HIV integrase

(2012) Peter K Quashie et al.   BMC Medicine

3-D QSAutogrid/R: An Alternative Procedure To Build 3-D QSAR Models. Methodologies and Applications

(2012) Flavio Ballante et al.   Journal of Chemical Information and Modeling

Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient

(2011) Nicola Chirico et al.   Journal of Chemical Information and Modeling

Rationalizing fragment based drug discovery for BACE1: insights from FB-QSAR, FB-QSSR, multi objective (MO-QSPR) and MIF studies

(2010) Prabu Manoharan et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Coherently wired light-harvesting in photosynthetic marine algae at ambient temperature

(2010) Elisabetta Collini et al.   NATURE

Molecular structure input on the web

(2010) Peter Ertl   Journal of Cheminformatics

Köln-Timişoara Molecular Activity Combined Models toward Interspecies Toxicity Assessment

(2009) Sergiu Chicu et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Twenty-Six Years of Anti-HIV Drug Discovery: Where Do We Stand and Where Do We Go?

(2009) Youcef Mehellou et al.   JOURNAL OF MEDICINAL CHEMISTRY

On Two Novel Parameters for Validation of Predictive QSAR Models

(2009) Partha Pratim Roy et al.   MOLECULES

Anti-HIV drugs: 25 compounds approved within 25 years after the discovery of HIV

(2008) Erik De Clercq   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Electronegativity: Quantum observable

(2008) Mihai V. Putz   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Chemical action and chemical bonding

(2008) Mihai V. Putz   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Group-Based QSAR (G-QSAR): Mitigating Interpretation Challenges in QSAR

(2008) Subhash Ajmani et al.   Quantitative structure-activity relationships & combinatorial science

Exploring the impact of size of training sets for the development of predictive QSAR models

(2007) Partha Pratim Roy et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS