Sheridan, Robert P.

Deep Neural Nets as a Method for Quantitative Structure–Activity Relationships

Ma, J., Sheridan, R. P., Liaw, A., Dahl, G. E., & Svetnik, V. (2015) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 1,159

QSAR without borders

Muratov, E. N., Bajorath, J., Sheridan, R. P., Tetko, I. V., Filimonov, D., Poroikov, V., Oprea, T. I., Baskin, I. I., Varnek, A., Roitberg, A., et al. (2020) · Chemical Society Reviews

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 913

Extreme Gradient Boosting as a Method for Quantitative Structure–Activity Relationships

Sheridan, R. P., Wang, W. M., Liaw, A., Ma, J., & Gifford, E. M. (2016) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 544

Why do we need so many chemical similarity search methods?

Sheridan, R. (2002) · Drug Discovery Today

Computational Drug Discovery MethodsSynthesis and Characterization of Heterocyclic Compounds

Cited by 412

Time-Split Cross-Validation as a Method for Estimating the Goodness of Prospective Prediction.

Sheridan, R. P. (2013) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 376

Is Multitask Deep Learning Practical for Pharma?

Ramsundar, B., Liu, B., Wu, Z., Verras, A., Tudor, M., Sheridan, R. P., & Pande, V. (2017) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 263

Demystifying Multitask Deep Neural Networks for Quantitative Structure–Activity Relationships

Xu, Y., Ma, J., Liaw, A., Sheridan, R. P., & Svetnik, V. (2017) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 238

Interpretation of QSAR Models by Coloring Atoms According to Changes in Predicted Activity: How Robust Is It?

Sheridan, R. P. (2019) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsAdvanced Chemical Physics Studies

Cited by 84