Drug Target Review

SEPTEMBER 20, 2023

“AI will not replace drug discovery scientists, but drug discovery scientists who use AI will replace those who don’t” – comment during EFMC meeting 2018 Progressing a drug molecule from concept to commercialisation typically takes 10-15 years and has high associated costs of up to $2 billion per launched drug, if all failures are factored in.

Drugs 105

Drugs Metabolic Stability Computational Chemistry Pharmaceuticals 105

Practical Cheminformatics

DECEMBER 7, 2023

A recent editorial by Dean Brown in J Med Chem and follow-up posts by Keith Hornberger and Derek Lowe prompted me to think about how we train computational chemists and cheminformaticians for careers in drug discovery. It also brought to mind some unique differences between how computational chemistry is practiced in biotech and pharma.

Computational Chemistry 87

Computational Chemistry Pharmacokinetics Drugs Pharmaceutical Companies 87

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

Drug Target Review

MAY 31, 2024

Working at the intersection of medicinal and computational chemistry as an early adopter of integrating in silico tools into the discovery process, I’ve seen first hand the technological advances that have been made over the past five-plus years. The field is currently exploding making it an exciting time to be a contributor to it.

Organic Chemistry 45

Organic Chemistry Computational Chemistry Small Molecule Disease 45