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

The majority of small molecule drugs induce their therapeutic effects by seeking out and binding to their intended target while avoiding most other molecules in the dense milieu of the cell interior. To this end, we selected a known rSM-RNA system, Aptamer 21, which possessed several attractive features.

RNA 52

RNA Small Molecule Bioinformatics Computational Chemistry 52