Year 2018: top* 10 papers with the highest R-portion

Topic: Computational Methods in Drug Discovery

* The top 5% of entries has been removed to reduce statistical anomalies. Further fine-tuning, filtering, and error cleaning are in progress.

Ensemble Docking in Drug Discovery

YCR = 2018 / 319 /  14.29 

Is It Reliable to Take the Molecular Docking Top Scoring Position as the Best Solution without Considering Available Structural Data?

YCR = 2018 / 296 /  14.29 

Reinforced Adversarial Neural Computer for <i>de Novo</i> Molecular Design

YCR = 2018 / 279 /  12.18 

<i>De Novo</i> Design of Bioactive Small Molecules by Artificial Intelligence

YCR = 2018 / 263 /  12.05 

Molecular generative model based on conditional variational autoencoder for de novo molecular design

YCR = 2018 / 248 /  11.41 

Evaluation of AutoDock and AutoDock Vina on the CASF-2013 Benchmark

YCR = 2018 / 248 /  11.36 

Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era

YCR = 2018 / 240 /  11.29 

Machine Learning of Toxicological Big Data Enables Read-Across Structure Activity Relationships (RASAR) Outperforming Animal Test Reproducibility

YCR = 2018 / 213 /  10.96 

Homology modeling in drug discovery: Overview, current applications, and future perspectives

YCR = 2018 / 242 /  10.89 

Artificial Intelligence in Drug Design

YCR = 2018 / 231 /  10.82