Practical Cheminformatics

JANUARY 16, 2024

Following up on Part I and Part II, the third post in this series is a collection of review articles published in 2023 that I found helpful.

Targeted Protein Degradation 139

Targeted Protein Degradation Small Molecule Computational Chemistry Bioinformatics 139

The Pharma Data

NOVEMBER 15, 2020

R&D collaboration building on Lead Pharma’s expertise in the discovery, design and optimization of small molecule treatments. Our rigorous target selection process, translational screening cascade, and smart medicinal chemistry have been essential to bring this project to this stage.

Small Molecule 52

Small Molecule Licensing Licensing Disease 52

DrugBank

OCTOBER 17, 2024

Data science has emerged as an innovative tool in the biopharmaceutical industry, leveraging the power of machine learning and artificial intelligence to drive innovation and efficiency across the entire drug development lifecycle. These complex molecules require precise engineering to ensure optimal efficacy and safety.

Drug Development 98

Drug Development Metabolic Stability Clinical Trials Drugs 98

Drug Target Review

NOVEMBER 1, 2023

The mission of the CCDD is to discover novel small-molecule therapeutics for the treatment of cancer and progress them to hypothesis testing phase 1 clinical trials. For example, in the screening stage of a project we are trying to find initial starting points for optimisation by our medicinal and computational chemistry colleagues.

Fragment Screening 96

Fragment Screening Biochemical Assays Small Molecule Biophysical Assays 96

Sygnature Discovery

APRIL 18, 2023

Sygnature Discovery is pleased to have entered into a research collaboration agreement with the global healthcare group Daewoong Pharmaceutical to accelerate the discovery of a novel small molecule to target autoimmune disease.

Small Molecule 52

Small Molecule Computational Chemistry Research Science 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. Our overall mission at Arrakis is to expand the set of “druggable” targets for small-molecule medicines to include RNA.

RNA 52

RNA Small Molecule Bioinformatics Computational Chemistry 52

LifeSciVC

APRIL 27, 2023

The premise at the time was that putting computational chemistry in the primary position for new molecule ideation would upend the drug discovery paradigm. set up a “virtual project team,” leverage Schrödinger scientists to lead computational chemistry, and do all the wet work at CROs. It did just that.

Small Molecule 40

Small Molecule Computational Chemistry Engineering Clinical Development 40