Search Result "partial least-squares (pls)"


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

Current State and Perspectives of 3D-QSAR

Journal: Current Topics in Medicinal Chemistry
Volume: 2 Issue: 1 Year: 2002 Page: 1381-1394
Author(s): Miki Akamatsu

Applications of Artificial Neural Network in AIDS Research and Therapy

Journal: Current Pharmaceutical Design
Volume: 8 Issue: 8 Year: 2002 Page: 659-670
Author(s): S. Sardari, D. Sardari

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

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

Computational Approaches for the Prediction of Blood-Brain Barrier Permeation

Journal: Current Medicinal Chemistry - Central Nervous System Agents
Volume: 2 Issue: 3 Year: 2002 Page: 211-227
Author(s): Wolfgang Sippl

The Use of Computational Methods in the Discovery and Design of Kinase Inhibitors

Journal: Current Pharmaceutical Design
Volume: 8 Issue: 1 Year: 2002 Page: 1527-1545
Author(s): John R. Woolfrey, G. Scott Weston

In Silico and Ex Silico ADME Approaches for Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 2 Issue: 1 Year: 2002 Page: 1287-1304
Author(s): Ferenc Darvas, Gyorgy Keseru, Akos Papp, Gyorgy Dorman, Laszlo Urge, Peter Krajcsi

New Polymer Structures and Polymerization Mechanisms Based upon Cation Radical Cycloadditions

Journal: Current Organic Chemistry
Volume: 6 Issue: 7 Year: 2002 Page: 647-664
Author(s): N. L. Bauld, Y. Roh

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