MTD-PLS:  A PLS-Based Variant of the MTD Method. 2. Mapping Ligand−Receptor Interactions. Enzymatic Acetic Acid Esters Hydrolysis

Author:

Kurunczi Ludovic1,Olah Marius1,Oprea Tudor I.1,Bologa Cristian1,Simon Zeno1

Affiliation:

1. Faculty of Pharmacy, University of Medicine and Pharmacy of Timisoara, P-ta Eftimie Murgu 3, 1900-Timisoara, Romania, Department Chemistry, University of West, Str. Pestalozzi 16, 1900-Timisoara, Romania, and EST Lead Informatics, AstraZeneca R and D. Mölndal, S-43183 Mölndal, Sweden

Publisher

American Chemical Society (ACS)

Subject

Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry

Reference17 articles.

1. Multiconformational Minimal Steric Difference. Structure-Acetylcholinesterase Hydrolysis Rates Relations for Acetic Acid Esters

2. Oprea, T. I.; Zamora, I.; Svensson, P. Qvo Vadis, Scoring Functions? Toward an Integrated Pharmacokinetic and Binding Affinity Prediction Framework. InCombinatorial Library Design and Evaluation for DrugDesign; Ghose, A. K., Viswanadhan, V. N., Eds.; Marcel Dekker Inc.  New York, 2001; pp 233−266.

3. Molecular Field Topology Analysis Method in QSAR Studies of Organic Compounds

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