Practical Cheminformatics

JANUARY 16, 2024

Property Prediction Machine Learning Methods for Small Data Challenges in Molecular Science [link] Practical guidelines for the use of gradient boosting for molecular property prediction [link] Application of message passing neural networks for molecular property prediction [link] Molecular Similarity Molecular Similarity: Theory, Applications, and (..)

Targeted Protein Degradation 141

Targeted Protein Degradation Small Molecule Computational Chemistry Bioinformatics 141

The Pharma Data

NOVEMBER 15, 2020

We have fully equipped labs for all stages of drug discovery, including medicinal chemistry, cellular pharmacology, and molecular pharmacology, as well as an “ in silico ” lab for our computational chemistry, bioinformatics, and data mining activities.

Small Molecule 52

Small Molecule Licensing Licensing Disease 52

Dark Matter Blog

AUGUST 31, 2020

Emblematic of Arrakis’ collaborative approach to science, almost all of the scientists in the lab—or, in the case of our colleagues in computational chemistry and biology, on their computers—at the time contributed to developing the PEARL-seq platform.

RNA 52

RNA Small Molecule Bioinformatics Computational Chemistry 52

Drug Discovery World

NOVEMBER 8, 2023

Optimising drug properties This session will begin with chairperson’s remarks from Andreas Evers, PhD, Principal Scientist, Computational Chemistry & Biology, Global Research & Development Discovery Technology, Merck Healthcare KGaA. The presentations which follow include: Peter Tessier, PhD, Albert M.

Engineering 163

Engineering Protein Expression Therapies Science 163