Recent trends in pharmaceutical analysis to foster modern drug discovery by comparative in-silico profiling of drugs and related substances

How artificial intelligence is changing drug discovery

Nic Fleming · Nature · 2018 · 543 citations · Full text

Medicine, Biomedical Informatics, Computer Science +13

In silico ADME and Toxicity Prediction of Ceftazidime and Its Impurities

Ying Han, Jingpu Zhang, Chang -qin Hu et al. · Frontiers in Pharmacology · 2019 · 285 citations · Full text

Pharmacy, Pharmacokinetics, Pharmacology +17

Molecular Docking and<i> In Silico</i> ADMET Study Reveals Acylguanidine 7a as a Potential Inhibitor of <i>β</i>-Secretase

Chaluveelaveedu Murleedharan Nisha, Ashwini Kumar, Ashwini Kumar et al. · Advances in Bioinformatics · 2016 · 138 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

FutureTox II: In vitro Data and In Silico Models for Predictive Toxicology

Thomas B. Knudsen, Douglas A. Keller, Miriam Sander et al. · Toxicological Sciences · 2015 · 132 citations · Full text

Pharmacy, Toxicology, Biochemical Toxicology +16

Comparative Evaluation of <i>in Silico</i> Systems for Ames Test Mutagenicity Prediction: Scope and Limitations

Alexander Hillebrecht, Wolfgang Muster, Alessandro Brigo et al. · Chemical Research in Toxicology · 2011 · 102 citations

Pharmacy, Bioinformatics, Toxicology +14