ACD/Labs Releases v2024 of Modeling Platform Percepta® to Support Pharmaceutical and Chemical R&D at the PhysChem Forum
Version 2024 of Percepta delivers substantial expansions to the training sets and algorithms, improving prediction accuracy for pKa and logP calculators, and a range of ADME and toxicity endpoints. This update also increases coverage of chemical space occupied by new therapeutic modalities such as proteolysis targeting chimeras (PROTACs). Bracknell, UK (September 30, 2024)—ACD/Labs, an informatics...
LogP vs LogD – What is the Difference?
LogP and logD are important values to consider during the drug design process as both give insight to the lipophilicity and hydrophilicity of compounds.
Collaborations & Developments that Bring You Industry-Leading Predictive pKa
ACD/Labs Percepta pKa predictions have been the industry standard for 25 years. The algorithm is continually improved. In this presentation, Kiril Lanevskij discusses collaborations with pharma and chemical companies that have helped enhance the algorithm. In particular, he shares the inclusion of data in the v2023 release which incorporated 3500 molecules, expanding the training set...
Accounting for Ionization in the Increasingly Digital R&D Paradigm
The prevalence of ionizable compounds in pharmaceuticals makes pKa an important physicochemical property to consider in drug discovery and development. In this presentation, Andrew Anderson highlights the need for accurate predictive models, particularly with the ever-increasing interest in incorporating generative AI models in pharmaceutical R&D and digital twin simulation of physical entities. Walk through the...
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.
Lipophilicity Descriptors: Understanding When to Use LogP & LogD
LogP vs logD? Learn why logD is the most relevant lipophilicity descriptor in R&D and see how it may be applied in drug discovery to understand physiological/in vivo behaviors.
Royal Society of Chemistry Renews Partnership with ACD/Labs to Continue Providing Industry-Leading Data to Worldwide Research Community
ACD/Labs algorithms will continue to equip ChemSpider with physicochemical property values and chemical nomenclature following ten year milestone. Toronto, CANADA (July 26, 2018)—ACD/Labs, an informatics company that develops and commercializes solutions in support of R&D, today announced the continued collaboration with ChemSpider, a leading chemical database owned by the Royal Society of Chemistry, to continue furnishing...
Chromatographic retention behaviour, modelling and optimization of a UHPLC-UV separation of the regioisomers of the Novel Psychoactive Substance (NPS) methoxphenidine (MXP)
Software from ACD/Labs was used in the prediction of physical and chemical properties, and retention modelling and optimization.
More and More Researchers are ‘Revisiting the Rule-of-5’
ACS reports that recent paper is one of the 10 most accessed articles on the publication website. Toronto, ON, Canada (February 27, 2008)—A paper published in Molecular Pharmaceutics in 2007 is now one of the journal’s 10 most accessed articles, according to the journal website’s rankings. The study, written by researchers at Advanced Chemistry Development,...