New extension enables researchers to explore the REAL Space of 11 billion readily accessible compounds directly from StarDrop CAMBRIDGE, UK., KIEV, UKRAINE and SANKT AUGUSTIN, GERMANY, 19 November, 2019 – Optibrium™, BioSolveIT™ and Enamine™, leading providers of...
Predicting pKa Using a Combination of Quantum Mechanical and Machine Learning Methods Journal of Chemical Information and Modeling. Publication Date (Web):May 1, 2020 Peter Hunt1, Layla Hosseini-Gerami2, Tomas Chrien1, Jeffrey Plante3, David J. Ponting3, Matthew...
The Latest Features of StarDrop 6.6 Held on 13 November 2019. In this webinar, presented by Matt Segall, we introduce the exciting new features in StarDrop 6.6, including: A new pKa model, included in the ADME QSAR module, combines quantum mechanics and machine...
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