In silico toxicity evaluation of Salubrinal and its analogues

Random Forests

Leo Breiman · Machine Learning · 2001 · 126.2K citations · Full text

Scikit-learn: Machine Learning in Python

Fabián Pedregosa, Gaël Varoquaux, Alexandre Gramfort et al. · arXiv (Cornell University) · 2012 · 63.7K citations · Full text

Computing, Computer Science, Artificial Intelligence +10

UCSF Chimera—A visualization system for exploratory research and analysis

Eric F. Pettersen, Thomas D. Goddard, Conrad C. Huang et al. · Journal of Computational Chemistry · 2004 · 47.8K citations

Computing, Bioinformatics, Visualization +17

LIBSVM

Chih-Chung Chang, Chih‐Jen Lin · ACM Transactions on Intelligent Systems and Technology · 2011 · 41.3K citations

Computing, Computer Science, Machine Learning +12

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17