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

TitleYearCitations
Extended-connectivity fingerprints20102.8K
ZINC--a free database of commercially available compounds for virtual screening20052.8K
LigPlot+: multiple ligand-protein interaction diagrams for drug discovery20112.7K
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules19882.6K
Basis set exchange: a community database for computational sciences20072.3K
g_mmpbsa--a GROMACS tool for high-throughput MM-PBSA calculations20142.1K
ZINC: a free tool to discover chemistry for biology20121.6K
Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations20111.5K
ZINC 15--Ligand Discovery for Everyone20151.3K
LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters20051.3K
Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database2010996
admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties2012942
Automation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typing2012908
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 antibiotics1989903
Identifying and characterizing binding sites and assessing druggability2009897
Automation of the CHARMM General Force Field (CGenFF) II: assignment of bonded parameters and partial atomic charges2012852
Improved docking of polypeptides with Glide2013815
Empirical scoring functions for advanced protein-ligand docking with PLANTS2009801
TRAVIS - a free analyzer and visualizer for Monte Carlo and molecular dynamics trajectories2011692
DataWarrior: an open-source program for chemistry aware data visualization and analysis2015621
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community2019584
Deep neural nets as a method for quantitative structure-activity relationships2015576
Enumeration of 166 billion organic small molecules in the chemical universe database GDB-172012561
y-Randomization and its variants in QSPR/QSAR2007555
Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem2007537