Search Result "fragment based QSAR"


Theoretical Modeling of HPV: QSAR and Novodesign with Fragment Approach

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 4 Year: 2014 Page: 303-314
Author(s): Girinath G. Pillai,Lauri Sikk,Tarmo Tamm,Mati Karelson,Peeter Burk,Kaido Tamm

Building a Chemical Space Based on Fragment Descriptors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 11 Issue: 8 Year: 2008 Page: 661-668
Author(s): Igor Baskin, Alexandre Varnek

A Neural Network-Based QSAR Approach for Exploration of Diverse Multi-Tyrosine Kinase Inhibitors and its Comparison with a Fragment- Based Approach

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 482-490
Author(s): Subhash Ajmani,Vellarkad N. Viswanadhan

Computational Techniques in Fragment Based Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 7 Issue: 1 Year: 2007 Page: 1509-1513
Author(s): Hugo O. Villar, Mark R. Hansen

Computational Tools for In Silico Fragment-Based Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 17 Year: 2012 Page: 1935-1943
Author(s): Jeremie Mortier,Christin Rakers,Raphael Frederick,Gerhard Wolber

Review Article

The QSAR Paradigm in Fragment-Based Drug Discovery: From the Virtual Generation of Target Inhibitors to Multi-Scale Modeling

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 20 Issue: 14 Year: 2020 Page: 1357-1374
Author(s): Valeria V. Kleandrova,Alejandro Speck-Planche

Building a Chemical Space Based on Fragment Descriptors

Ebook: Advances in Combinatorial Chemistry & High Throughput Screening
Volume: 1 Year: 2013
Author(s): Igor I. Baskin,Alexandre Varnek
Doi: 10.2174/9781608057450113010005

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

Receptor-based 3D-QSAR in Drug Design: Methods and Applications in Kinase Studies

Journal: Current Topics in Medicinal Chemistry
Volume: 16 Issue: 13 Year: 2016 Page: 1463-1477
Author(s): Cheng Fang,Zhiyan Xiao

Fragment-Based Drug Design: Computational and Experimental State of the Art

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 6 Year: 2011 Page: 500-520
Author(s): Laurent Hoffer, Jean-Paul Renaud, Dragos Horvath

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