Advanced Chemistry Development, Inc., (ACD/Labs) specializes in the design of software, with a focus on the R&D and chemistry of molecules ('small molecules'). ACD/Labs provides solutions for the enterprise in varied areas, including analytical data handling and knowledge management; in addition,
molecular property Molecular properties include the chemical properties, physical properties, and structural properties of molecules, including drugs. Molecular properties typically do not include pharmacological or biological properties of a chemical compound.
...
modelling and property-based design are relevant areas of expertise in ACD Labs.
Location
The company is headquartered in Toronto, Ontario, Canada with direct sales offices in the UK, Germany, France, China, and India. The distribution channel extends throughout Europe to Australia, S. America, and Africa.
History
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
PKA may refer to:
* Professionally known as:
** Pen name
** Stage persona
* p''K''a, the symbol for the acid dissociation constant at logarithmic scale
* Protein kinase A, a class of cAMP-dependent enzymes
* Pi Kappa Alpha, the North-American so ...
,
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
Mass is an intrinsic property of a body. It was traditionally believed to be related to the quantity of matter in a physical body, until the discovery of the atom and particle physics. It was found that different atoms and different elementar ...
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
ADME is an abbreviation in pharmacokinetics and pharmacology for " absorption, distribution, metabolism, and excretion", and describes the disposition of a pharmaceutical compound within an organism. The four criteria all influence the drug le ...
, toxicity, reactivity.
In 2009 the companies merged under the name ACD/Labs. This allowed to combine ACD's expertise at spectra processing and some of its more tried-and-true prediction algorithms with Pharma'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 comprehensive solutions that would integrate ACD products into an infrastructure of a client company.
Customers
ACD/Labs solutions are used by a variety of industries including pharma/biotech, fine chemicals, consumer goods, agrochemicals, petrochemicals, food and beverage, academic institutions, and government organizations.
See also
*
International Union of Pure and Applied Chemistry
The International Union of Pure and Applied Chemistry (IUPAC ) is an international federation of National Adhering Organizations working for the advancement of the chemical sciences, especially by developing nomenclature and terminology. It is ...
*
Computer-Assisted Drug Design
*
QSAR
*
Structural Elucidation
A chemical structure determination includes a chemist's specifying the molecular geometry and, when feasible and necessary, the electronic structure of the target molecule or other solid. Molecular geometry refers to the spatial arrangement of at ...
*
Scientific Data Management System
*
Analytical Chemistry
*
Instrumental chemistry
Instrumental analysis is a field of analytical chemistry that investigates analytes using scientific instruments.
Spectroscopy
Spectroscopy measures the interaction of the molecules with electromagnetic radiation. Spectroscopy consists of many ...
References
Comparisonof pKa prediction accuracy among 9 ''in silico'' predictors.
[New Freeware Offering Makes ACD/Labs Lipophilicity Predictions Available to All; https://www.technologynetworks.com/drug-discovery/product-news/new-freeware-offering-makes-acdlabs-lipophilicity-predictions-available-to-all-220675]
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Science software