Search Result "molecular descriptors"


Reliability of logP Predictions Based on Calculated Molecular Descriptors: A Critical Review

Journal: Current Medicinal Chemistry
Volume: 9 Issue: 2 Year: 2002 Page: 1819-1829
Author(s): D. Eros, I. Kovesdi, L. Orfi, K. Takacs-Novak, Gy. Acsady, Gy. Keri

The Present Utility and Future Potential for Medicinal Chemistry of QSAR / QSPR with Whole Molecule Descriptors

Journal: Current Topics in Medicinal Chemistry
Volume: 2 Issue: 1 Year: 2002 Page: 1333-1356
Author(s): Alan R. Katritzky, Dan C. Fara, Ruslan O. Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka, Mati Karelson

Application of Topological Descriptors in QSAR and Drug Design: History and New Trends

Journal: Current Drug Targets - Infectious Disorders
Volume: 2 Issue: 1 Year: 2002 Page: 93-102
Author(s): R. Gozalbes, J. P. Doucet, F. Derouin

Molecular Diversity Sample Generation on the Basis of Quantum-Mechanical Computations and Principal Component Analysis

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 5 Issue: 1 Year: 2002 Page: 49-57
Author(s): H. Gutierrez-de-Teran, J. J. Lozano, V. Segarra, F. Sanz

Application of High-Throughput, Molecular-Targeted Screening to Anticancer Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 2 Issue: 3 Year: 2002 Page: 229-246
Author(s): Robert H. Shoemaker, Dominic A. Scudiero, Giovanni Melillo, Michael J. Currens, Anne P. Monks, Alfred A. Rabow, David G. Covell, Edward A. Sausville

Grouping of Coefficients for the Calculation of Inter-Molecular Similarity and Dissimilarity using 2D Fragment Bit-Strings

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 5 Issue: 2 Year: 2002 Page: 155-166
Author(s): J. D. Holliday, C-Y Hu, P. Willett

Rational Design and Development of RDP58

Journal: Current Pharmaceutical Design
Volume: 8 Issue: 2 Year: 2002 Page: 2217-2229
Author(s): Suhasini Iyer, Roger Lahana, Roland Buelow

Integrated Acquisition of Analytical and Biopharmaceutical Screening Data for beta-Adrenergic-Drugs Employing Diversified Macrocycle Supported Potentiometric Detection in HPLC Systems

Journal: Current Medicinal Chemistry
Volume: 9 Issue: 1 Year: 2002 Page: 1547-1566
Author(s): Grzegorz Bazylak, Luc J. Nagels

Lipophilicity and Other Parameters Affecting Brain Penetration

Journal: Current Medicinal Chemistry - Central Nervous System Agents
Volume: 2 Issue: 3 Year: 2002 Page: 229-240
Author(s): F. Atkinson, S. Cole, C. Green, H. van de Waterbeemd

Dynamic QSAR Techniques: Applications in Drug Design and Toxicology

Journal: Current Pharmaceutical Design
Volume: 8 Issue: 1 Year: 2002 Page: 1605-1621
Author(s): Ovanes Mekenyan

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