06-minireviews_in_medicinal_chemistry_2012_12.pdf
Hai Pham-The
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The Present Utility and Future Potential for Medicinal Chemistry of QSAR / QSPR with Whole Molecule Descriptors
Mati Karelson, Andre Lomaka
Current Topics in Medicinal Chemistry, 2002
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Computer-Aided Drug Design Methodologies Toward the Design of Anti-Hepatitis C Agents
Natália Cordeiro
2012
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In Silico Tools for Drug Absorption Prediction
George Grass
American Journal of Drug Delivery, 2003
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Current Computational Approaches Towards the Rational Design of New Insecticidal Agents
M Cordeiro
2011
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Drug permeation in biomembranes
Lasse Murtomäki
European Journal of Pharmaceutical Sciences, 2004
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Current Drug Design of Anti-HIV Agents Through the Inhibition of C-C Chemokine Receptor Type 5
Alejandro Speck-Planche
Current Computer Aided-Drug Design, 2011
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Application of Bioinformatics for the Search of Novel Anti-Viral Therapies: Rational Design of Anti-Herpes Agents
Natália Cordeiro
Current Bioinformatics, 2011
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Drug permeation in biomembranes: in vitro and in silico prediction and influence of physicochemical properties
Lasse Murtomaki
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3D-QSAR Methodologies and Molecular Modeling in Bioinformatics for the Search of Novel Anti-HIV Therapies: Rational Design of Entry Inhibitors
Marcus Scotti, Alejandro Speck-Planche
Current Bioinformatics, 2013
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The impact of informatics and computational chemistry on synthesis and screening
Charles Manly
Drug Discovery Today, 2001
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QSAR and Molecular Docking Techniques for the Discovery of Potent Monoamine Oxidase B Inhibitors: Computer-Aided Generation of New Rasagiline Bioisosteres
Alejandro Speck-Planche
Current Topics in Medicinal Chemistry, 2012
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Recent Developments of In Silico Predictions of Intestinal Absorption and Oral Bioavailability
Huidong Yu
Combinatorial Chemistry & High Throughput Screening, 2009
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Chemoinformatics and drug discovery
Arnie Hagler
Molecules, 2002
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QSAR Study and Molecular Design of Open-Chain Enaminones as Anticonvulsant Agents
Mario Arturo Lerma Estrada
International Journal of Molecular Sciences, 2011
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Selection of effective cocrystals former for dissolution rate improvement of active pharmaceutical ingredients based on lipoaffinity index
Maciej Przybyłek
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 2017
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Review of Current Chemoinformatic Tools for Modeling Important Aspects of CYPsmediated Drug Metabolism. Integrating Metabolism Data with Other Biological Profiles to Enhance Drug Discovery
Alejandro Speck-Planche
Current Drug Metabolism, 2014
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Influence of Derivatization on Molecular and Pharmacokinetic Properties of Phenoxy Acids – An In Silico Study
arifa begum
2017
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Molecular Drug Properties Edited by
Cristina Rivas
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General Theory for Multiple Input-Output Perturbations in Complex Molecular Systems. 1. Linear QSPR Electronegativity Models in Physical, Organic, and Medicinal Chemistry
Juan M Ruso, Sonia Arrasate
Current Topics in Medicinal Chemistry, 2013
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QSPR Prediction of Aqueous Solubility of Drug-Like Organic Compounds
Jahan B Ghasemi
Chemical and Pharmaceutical Bulletin, 2007
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Biological Activity and Toxicity: A Conceptual DFT Approach
Sudip Pan
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Prediction of Intestinal Epithelial Transport of Drug In (Caco2) Cell Culture From Molecular Structure Using In Silico Approaches During Early Drug Discovery
Francisco Torrens
… Electronic Journal of …, 2005
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-Artificial Neural Networks.Theoretical Background
Fredy Escobar
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Monoamino Oxidase A: An Interesting Pharmacological Target for the Development of Multi-Target QSAR
Lourdes Santana
Mini-Reviews in Medicinal Chemistry, 2012
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Computer modeling of blood brain barrier permeability for physiologically active compounds
Vladimir Poroikov
Biochemistry (Moscow) Supplement Series B: Biomedical Chemistry, 2013
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Experimental and computational screening models for prediction of aqueous drug solubility
Per Artursson
Pharmaceutical Research, 2002
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Evolution of Graph Theory-Based QSAR Methods and their Applications to the Search for New Antibacterial Agents
Alejandro Speck-Planche
Current Topics in Medicinal Chemistry, 2013
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A QSAR, pharmacokinetic and toxicological study of new artemisinin compounds with anticancer activity
Francinaldo Sarges Braga
Molecules (Basel, Switzerland), 2014
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A Comparative Study of the Lipophilicity of Metformin and Phenformin
Katarzyna Bober
Molecules
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Modelling of partition constants: linear solvation energy relationships or PLS regression?
tao liu
Journal of Chemometrics, 2009
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Lipophilicity in drug design: an overview of lipophilicity descriptors in 3D-QSAR studies
Tiziana Ginex
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Theoretical Molecular Descriptors Relevant to the Uptake of Persistent Organic Pollutants from Soil by Zucchini. A QSAR Study
Tamas Komives
Journal of Agricultural and Food Chemistry, 2011
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Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning
Maciej Przybyłek
International Journal of Molecular Sciences, 2021
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Modelling of absorption, distribution and physicochemical properties of AT1 receptor antagonists
Viera Žufková, Pavol Jezko
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