UKQSAR Spring 2021 Meeting – 27th April 2021 Virtual Meeting

Spring Meeting Information

The virtual meeting will be held on Tuesday 27th April, and as ever the meeting is free to attend, although delegates will need to register before 20th April. 

The meeting will focus on augmented reality and retrosynthesis. Speakers include Rachel Pirie who won the poster prize winner at the Autumn 2020 meeting,  Quentin Perron from Iktos, Regina Barzilay from MIT, Samar Mahmood from Optibrium, Sereina Riniker from ETH Zurich and James Webster from the University of Sheffield. 

The provisional agenda is:

Time (BST)TitleSpeakerOrganisation
1200-1230Investigations into reaction vector based Monte Carlo tree search for generative drug designJames WebsterThe University of Sheffield
1230-13003D Shape Similarity Using the Kähler PotentialRachael PirieUniversity of Newcastle
1300-1400Lunch & Posters
1400-1430Integrating synthetic accessibility with AI-based generative drug design (Download)Quentin PerronIktos
1430-1500Handling Imbalanced Data in Machine Learning ClassifiersSereina RinikerETH-Zurich
1530-1600Infusing biology into property prediction modelsRegina BarzilayMIT
1600-1630A Global Deep Learning Model for Global Health Drug Discovery (Download)Samar MahmoodOptibrium
1630-1645Final Remarks