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Preprint Article: Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility

by Thanos Panagiotidis | Oct 15, 2009 | In Silico Modelling, Publications and presentations

Preprint Article: Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility This is a preprint of the article published in J Comput Aided Mol Des. 2008 Jun-Jul;22(6-7):431-40. Epub 2008 Feb 14. Abstract In this article, we...

Article: ADMET Property Prediction: The State of the Art and Current Challenges

by Thanos Panagiotidis | Oct 15, 2009 | In Silico Modelling, Publications and presentations

Article: ADMET Property Prediction: The State of the Art and Current Challenges This article was published in QSAR & Combinatorial Science, Volume 25, Issue 12, Pages 1172 – 1180 (DOI10.1002/qsar.200610093) AbstractIn this article, we review recent...

Article: Why is it still drug discovery?

by Thanos Panagiotidis | Oct 15, 2009 | General, Publications and presentations

Article: Why is it still drug discovery? Matthew Segall (while still in the ADMET Division, BioFocus DPI), explored the balance between luck and judgement in drug discovery. As Matt put it “The vision of an in silico design process for drug molecules is...

Improving Drug Discovery Efficiency via In Silico Calculation of Properties

by Thanos Panagiotidis | Oct 13, 2009 | Drug Discovery Applications, Publications and presentations

Improving Drug Discovery Efficiency via In Silico Calculation of Properties Dan Ortwine gave this presentation as part of a workshop at the ISSX North American meeting in Baltimore, MD, USA, 2009. The workshop, titled Effectively Using In Vitro Data, In Silico Models...

Poster: Guiding the Decision-Making Process to Identify High Quality Compounds

by Thanos Panagiotidis | Oct 13, 2009 | Drug Discovery Applications, Publications and presentations

Poster: Guiding the Decision-Making Process to Identify High Quality Compounds Defining a property profile is subjective and often leads to lengthy, interdisciplinary discussions about the criteria and their relevance. For example, is it worth sacrificing some potency...
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