NIH Director's Blog: Drug Development

OCTOBER 30, 2018

Now comes word of another absolutely incredible use of cryo-EM: determining with great ease and exquisite precision the structure of the smaller organic chemical compounds, or “small molecules,” that play such key roles in biological exploration and drug development. Also analyzed were eight less-familiar small molecules.

Small Molecule 52

Small Molecule Science Drug Development Organic Chemistry 52

Practical Cheminformatics

OCTOBER 8, 2024

Testing Claude’s Molecule Generation Ability To test the molecule generation ability of Claude, a general-purpose LLM from Anthropic, I prompted it to generate analogs for hits from fragment screens. These fragment hits are small molecules with between 11 and 21 heavy atoms. Of course, this is ridiculous.

Fragment Screening 136

Fragment Screening Packaging Organic Chemistry Small Molecule 136

Elrig

APRIL 29, 2024

During this time, I had the opportunity to step in as an interim Discovery Sciences project lead, sparking my interest in project leadership. There, I supported AI-enabled DD efforts in their small molecule portfolio.

Bioinformatics 59

Bioinformatics Drugs Molecular Biology Cell Based Assays 59

Drug Target Review

MAY 31, 2024

Coupling my desire to be a scientist with my keen sense of adventure, I moved to Alaska out of high school to begin my undergraduate studies in chemistry, applying myself to my STEM classes whilst also climbing mountains and chasing Northern Lights. She is an active voice for diversity and inclusion in the Sciences.

Organic Chemistry 45

Organic Chemistry Computational Chemistry Small Molecule Disease 45

The Open Targets Blog

SEPTEMBER 21, 2023

After completing my PhD in organic chemistry at the University of Cambridge, I went to Canada as a Leverhulme Trust postdoctoral fellow. I then moved back to the UK to work as a process chemist at GSK, designing the manufacturing routes for small molecule drugs. I’m a chemist by training.

Organic Chemistry 83

Organic Chemistry Process Chemistry Small Molecule Science 83