Martin Fitzner: Chemical Encodings for Bayesian Optimization in the Real World
Whats new session 3
Masaya Fujii: Dynamic Attention-Based Substructure Hierarchy for surface area assignment
Alister Goodfellow: Embedding and stereochemistry for transition metal complexes
Hannah Baumann: Making alchemical free energy calculations practical at scale with OpenFE
Lightning Talk Session 1
David Cosgrove: Shape-based similarity searching in synthon space.
Whats New Session 1
State of the Toolkit
Maciej Wójcikowski: Accelerating massive substrurcture matching with roaring bitmaps
Gregori Gerebtzoff: Comprehensive bio-transformation analysis of oligonucleotides with RDKit
Lightning talks session 2
Andrew Dalke: Approximating Count Fingerprints with Binary
Whats new session 2
