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Molecular Design and QSARs/QSPRs with Molecular Descriptors Family

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 195-205
Author(s): Sorana D. Bolboaca,Lorentz Jantschi,Mircea V. Diudea

OCWLGI Descriptors: Theory and Praxis

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 226-232
Author(s): Andrey A. Toropov,Alla P. Toropova,Emilio Benfenati,Giuseppina Gini

Chemical Graphs, Molecular Matrices and Topological Indices in Chemoinformatics and Quantitative Structure-Activity Relationships§

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 153-163
Author(s): Ovidiu Ivanciuc

Modeling Anti-Allergic Natural Compounds by Molecular Topology

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 8 Year: 2013 Page: 628-635
Author(s): Ramon Garcia-Domenech, Riccardo Zanni, Maria Galvez-Llompart, J. Vicente de Julian-Ortiz

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

Parabolic Reactivity âColoringâ Molecular Topology: Application to Carcinogenic PAHs

Journal: Current Organic Chemistry
Volume: 17 Issue: 23 Year: 2013 Page: 2816-2830
Author(s): Mihai V. Putz,Ottorino Ori,Franco Cataldo,Ana-Maria Putz

Topological and Physicochemical Characteristics of 1,2,3,4-Tetrahydroacridin- 9(10H)-Ones and Their Antimalarial Profiles: A Composite Insight to the Structure-Activity Relation^Â§

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 3 Year: 2013 Page: 317-335
Author(s): Brij K. Sharma,Saroj Verma,Yenamandra S. Prabhakar

Probing a Chemical Space for Fragmental Topology-Activity Landscapes (FRAGTAL): Application for Diketo Acid and Catechol HIV Integrase Inhibitor Offspring Fragments

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 4 Year: 2013 Page: 274-287
Author(s): Andrzej Bak,Tomasz Magdziarz,Agata Kurczyk,Katarzyna Serafin,Jaroslaw Polanski

Modeling of LIM-Kinase 2 Inhibitory Activity of Pyrrolopyrimidine Analogues: Useful in Treatment of Ocular Hypertension and Glaucoma

Journal: Medicinal Chemistry
Volume: 9 Issue: 3 Year: 2013 Page: 402-409
Author(s): Gagandip Singh,Manish K. Gupta,Viney Kumar,Yenamandra S. Prabhakar

Mathematical Descriptors for the Prediction of Property, Bioactivity, and Toxicity of Chemicals from their Structure: A Chemical-Cum-Biochemical Approach

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 449-462
Author(s): Subhash C. Basak

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