How to Streamline Method Development: Column Selection
Watch this excerpt from our webinar – ‘Achieve CHROMpliance: A 3-Step Strategy for Rational Method Development’
How to Streamline Method Development: pH Selection
Watch this excerpt from our webinar – ‘Achieve CHROMpliance: A 3-Step Strategy for Rational Method Development’
ACD/Labs: Empowering Data-driven Decisions
This guide to informatics and data integrity published by the European Pharmaceutical Review highlights ACD/Labs software solutions including our Spectrus and Percepta platforms, and new solutions Luminata and Katalysts D2D.
An Introduction to the Acid Dissociation Constant (pKa)
pKa (the acid dissociation constant) describes the inherent property of a compound or ionizable functional group to lose H+ and generate hydronium ions (H3O+). pH measures the concentration of hydronium ions (H3O+) in aqueous solution. Read more about pKa.
Prediction of Human Lethality of Psychoactive Drugs From Rodent LD50 Values
ACD/I-Lab was used to calculate mouse and rat LD50 values with impressive accuracy in this paper published in IJQSPR.
LogP—Making Sense of the Value
Learn how logP is measured, what the values mean, and how logP is applied in various R&D industries.
ACD/Labs Announces Technology Modernization of its Molecular Property Calculators on the Percepta Platform
New web-based technology facilitates ease of deployment and support for IT while continuing to deliver ACD/Labs’ industry leading physicochemical, ADME, and toxicity calculators to scientists Toronto, Canada (May 8, 2019)—ACD/Labs, an informatics company that is celebrating 25 years of providing chemical and analytical knowledge management solutions for R&D, announced the launch of a web-based application—Percepta...
Get the Most Functionality and Confidence out of Your NMR Predictions (Deutsch)
Software zum Vorhersagen von NMR-Spektren ist von essenzieller Bedeutung für viele Arbeitsabläufe in der chemischen und pharmazeutischen Analytik. Routine-Analysen, welche auf genau vorhergesagten NMR-Spektren beruhen, wie Strukturverifizierung und Strukturaufklärung, können durch zweifelhafte Vorhersagen von NMR-Spektren beeinträchtigt sein. Die Algorithmen von ACD/Labs zur Vorhersage von NMR-Spektren werden daher seit 25 Jahren kontinuierlich weiterentwickelt und verbessert um...
The Importance of Training Predictors
This application note discusses the importance of using the machine learning (model training) capabilities of predictive models to improve accuracy.
Computer Assisted Structure Elucidation—Workflows, Capabilities and Reliability
Computer Assisted Structure Elucidation (CASE) was proposed as a technique in 1968 with the intention of using spectroscopic data and computing power to determine the structure of an unknown compound. It rapidly evolved into a method that relies on NMR spectra, mass spectra and other information. The aim of CASE is to always find the...