The story
ACD/Labs was founded in 1994 as a private company. The intention was to monetize the experience of an international team of scientists specializing in quantitative structure-property relationships, such as NMR spectra and various physico-chemical properties, such as pKa, logP, logD, boiling point, vapor pressure. Early on the development focused on predictors, chemical drawing and chemical naming. But by 1997 the scope expanded to also include chromatography, processing of optical and mass spectra and databasing.
Pharma Algorithms was established in 2001. Its team focused solely on quantitative property prediction, but employed wider array of methods and applied them not only to physico-chemical properties, but also to such areas as ADME, toxicity, reactivity.
In 2009 the companies merged under the name ACD/Labs. This allowed to combine ACD/Labs' expertise at spectra processing and some of its more tried-and-true prediction algorithms with Pharma Algorithm's expertise at building user-friendly GUI and predicting biochemical properties as well as their more flexible prediction engine. The merger marked a shift from "shrink-wrap software" oriented on individual research specialists toward integrating ACD/Labs products into an infrastructure of a client company.
On 10th Nov 2025, Revvity Inc announced that it has entered into a defnitive agreement to acquire ACD/Labs.
From Wikipedia’s article on Advanced Chemistry Development, shared under CC BY-SA 4.0.4