Search Result "2D Fragment Bit-Strings"


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

Random Molecular Fragment Methods in Computational Medicinal Chemistry

Journal: Current Medicinal Chemistry
Volume: 15 Issue: 2 Year: 2008 Page: 2108-2121
Author(s): Eugen Lounkine, Jose Batista, Jurgen Bajorath

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 Review on Principles, Theory and Practices of 2D-QSAR

Journal: Current Drug Metabolism
Volume: 15 Issue: 4 Year: 2014 Page: 346-379
Author(s): Kunal Roy,Rudra Narayan Das

Research Article

Identifying the Structural Features of Diphenyl Ether Analogues for InhA Inhibition: A 2D and 3D QSAR Based Study

Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 1 Year: 2020 Page: 31-47
Author(s): Ashutosh Prasad Tiwari,Varadaraj Bhat Giliyar,Gurypur Gautham Shenoy,Vandana Kalwaja Eshwara

Research Article

Identification of Essential 2D and 3D Chemical Features for Discovery of the Novel Tubulin Polymerization Inhibitors

Journal: Current Topics in Medicinal Chemistry
Volume: 19 Issue: 13 Year: 2019 Page: 1092-1120
Author(s): Fateme Azimi,Jahan B. Ghasemi,Lotfollah Saghaei,Farshid Hassanzadeh,Mohammad Mahdavi,Hojjat Sadeghi-Aliabadi,Marcus T. Scotti,Luciana Scotti

Reverse Fingerprinting and Mutual Information-Based Activity Labeling and Scoring (MIBALS)

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 4 Year: 2009 Page: 424-439
Author(s): Chris Williams, Suzanne K. Schreyer

Advanced Fingerprint Methods for Similarity Searching: Balancing Molecular Complexity Effects

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 13 Issue: 3 Year: 2010 Page: 220-228
Author(s): Yuan Wang, Jurgen Bajorath

Mapping Fragmental Drug-Likeness in the MoStBioDat Environment:Intramolecular Hydrogen Bonding Motifs in β-Ketoenols

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 7 Year: 2011 Page: 560-569
Author(s): Andrzej Bak, Tomasz Magdziarz, Agata Kurczyk, Jaroslaw Polanski

In Silico Identification of Small Molecule Mimetics of the Pro-Apoptotic BH3-Helix

Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 4 Year: 2011 Page: 355-362
Author(s): Melanie Fullbeck, Julia Hossbach, Ines S. Jaeger, Peter T. Daniel, Robert Preissner

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