In Silico models what to do, what not to do
Al Dossetter (Medchemica) takes a tour through "In-Silicon Design" and focusses on some of the lessons he has learnt. The webinar covers:
• Where do ideas come from
• Using Cheminformatics to gather as much information as you can from literature, patents and structures
• 2D Design - prediction methods
Understanding how models are built and what their limitations are
Methods - QSAR/Machine learning/ Matched molecular pair analysis and Artificial Intelligence using AlogP98 as an example
• 3D design/ Structure-based drug design (SBDD)
Methods - limitations of 3D modelling & docking
• Two project examples
Cathepsin-K
11-bHSD
• Conclusions
