David Allen

In silico toxicology protocols

Glenn J. Myatt, Ernst Ahlberg, Yumi Akahori et al. · Regulatory Toxicology and Pharmacology · 2018 · 234 citations · Full text

Toxicology Testing, Environmental Health, Toxicology +18

Development and Validation of a Computational Model for Androgen Receptor Activity

Nicole Kleinstreuer, Patricia Ceger, Eric D. Watt et al. · Chemical Research in Toxicology · 2016 · 211 citations · Full text

Potential Androgen Receptor, Engineering, Computational Model +19

In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning

Qingda Zang, Kamel Mansouri, Antony Williams et al. · Journal of Chemical Information and Modeling · 2016 · 192 citations · Full text

Open-source QSAR models for pKa prediction using multiple machine learning approaches

Kamel Mansouri, Neal F. Cariello, Alexandru Korotcov et al. · Journal of Cheminformatics · 2019 · 176 citations · Full text

STopTox: An <i>in Silico</i> Alternative to Animal Testing for Acute Systemic and Topical Toxicity

Joyce Villa Verde Bastos Borba, Vinícius M. Alves, Rodolpho C. Braga et al. · Environmental Health Perspectives · 2022 · 168 citations · Full text