Search Result "Reactivity descriptors"
Understanding the Diels-Alder Reactivity of Superelectrophilic Nitrobenzofuroxans and Related 10π-Heteroaromatics through DFT-Based Electrophilicity Descriptors
Journal: Letters in Organic Chemistry
Volume: 8 Issue: 2 Year: 2011 Page: 108-118
Author(s): Sami Lakhdar, Guillaume Berionni, Regis Goumont, Francois Terrier
Conceptual Density Functional Theory of Chemical Reactivity
Ebook: Advances in Mathematical Chemistry and Applications
Volume: 1 Year: 2014
Author(s): Pratim K. Chattaraj,Debesh R. Roy
Doi: 10.2174/9781608059287114010013
Inductive Descriptors: 10 Successful Years in QSAR
Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 1 Year: 2005 Page: 21-42
Author(s): A. Cherkasov
QSAR of Chalcones Utilizing Theoretical Molecular Descriptors
Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 2 Year: 2015 Page: 184-193
Author(s): Sisir Nandi,Manish C. Bagchi
Conceptual Density Functional Theory of Chemical Reactivity
Ebook: Advances in Mathematical Chemistry and Applications Volume 1 (Revised Edition)
Volume: 1 Year: 2015
Author(s): Pratim K. Chattaraj,Debesh R. Roy
Doi: 10.2174/9781681081977115010013
Recent Advances in the Assessment of Druglikeness Using 2DStructural Descriptors
Ebook: Advances in Mathematical Chemistry and Applications
Volume: 1 Year: 2014
Author(s): Hariharan Rajesh,Lakshminarasimhan Rajagopalan,Vellarkad N. Viswanadhan
Doi: 10.2174/9781608059287114010015
Structural Similarity and Descriptor Spaces for Clustering and Development of QSAR Models§
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 254-271
Author(s): Irene Luque Ruiz,Gonzalo Cerruela Garcia,Miguel Angel Gomez-Nieto
Application of SMILES Notation Based Optimal Descriptors in Drug Discovery and Design
Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 18 Year: 2015 Page: 1768-1779
Author(s): Aleksandar M. Veselinovic,Jovana B. Veselinovic,Jelena V. Zivkovic,Goran M. Nikolic
Prediction of Drug Induced Liver Injury Using Molecular and Biological Descriptors
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 3 Year: 2015 Page: 315-322
Author(s): Christophe Muller,Dumrongsak Pekthong,Eliane Alexandre,Gilles Marcou,Dragos Horvath,Lysiane Richert,Alexandre Varnek
Prediction of Specificity and Cross-Reactivity of Kinase Inhibitors
Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 3 Year: 2011 Page: 223-228
Author(s): Nitish Kumar Mishra, Gajendra P.S. Raghava