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Journal of Chemical Information and Modeling
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Top Articles
Journal of Chemical Information and Modeling
Chemical Engineering
,
Chemistry
,
Software Engineering
6.1
(top 2%)
Impact Factor
6.5
(top 2%)
extended IF
147
(top 2%)
H-Index
5.3K
authors
5.6K
papers
181.5K
citations
4.7K
citing journals
66.4K
citing authors
Most Cited Articles of Journal of Chemical Information and Modeling
Title
Year
Citations
Extended-connectivity fingerprints
2010
2.8K
ZINC--a free database of commercially available compounds for virtual screening
2005
2.8K
LigPlot+: multiple ligand-protein interaction diagrams for drug discovery
2011
2.7K
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
1988
2.6K
Basis set exchange: a community database for computational sciences
2007
2.3K
g_mmpbsa--a GROMACS tool for high-throughput MM-PBSA calculations
2014
2.1K
ZINC: a free tool to discover chemistry for biology
2012
1.6K
Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations
2011
1.5K
ZINC 15--Ligand Discovery for Everyone
2015
1.3K
LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters
2005
1.3K
Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database
2010
996
admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties
2012
942
Automation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typing
2012
908
Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics
1989
903
Identifying and characterizing binding sites and assessing druggability
2009
897
Automation of the CHARMM General Force Field (CGenFF) II: assignment of bonded parameters and partial atomic charges
2012
852
Improved docking of polypeptides with Glide
2013
815
Empirical scoring functions for advanced protein-ligand docking with PLANTS
2009
801
TRAVIS - a free analyzer and visualizer for Monte Carlo and molecular dynamics trajectories
2011
692
DataWarrior: an open-source program for chemistry aware data visualization and analysis
2015
621
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
2019
584
Deep neural nets as a method for quantitative structure-activity relationships
2015
576
Enumeration of 166 billion organic small molecules in the chemical universe database GDB-17
2012
561
y-Randomization and its variants in QSPR/QSAR
2007
555
Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem
2007
537
previous
2017
2018
2019
How are inpact factors calculated?
The impact factor (IF) is calculated by counting citations from peer-reviewed journals only.
extended IF
also counts citations from books and conference papers. However, no patent, abstract, working papers, online documents, etc., are covered.
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