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.
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.
Evaluating Physicochemical Model Predictions Using a Web-Based Percepta Client
Procter & Gamble employs the Percepta platform to replace physicochemical property calculations made through physical laboratory experiments with virtual experiments. The software helps chemists and formulators to work more efficiently, and assists in the decision-making process. In this presentation David explains how P&G scientists employ Percepta in divining applicability domains for physicochemical prediction models, and...
Relative toxicological ranking of eight polybrominated diphenyl ether congeners using cytotoxicity, chemical properties and exposure data
ACD/Labs Percepta Platform software was used in the studies behind this article. Read more about their findings.
Determination of acid dissociation constants (pKa) of cephalosporin antibiotics: Computational and experimental approaches
Comparison of experimental and published pKa values for 88 cephalosporin antibiotics with ACD/pKa and other prediction software.
A simple approach to multifunctionalized N1-alkylated 7-amino-6-azaoxindole derivatives using their in situ stabilized tautomer form
An article by N. Tzvetkov et al. published in Tetrahedron, 2016, that references ACD/LogP.
Estimation of the chemical-induced eye injury using a weight-of-evidence (WoE) battery of 21 artificial neural network (ANN) c-QSAR models (QSAR-21): Part I: Irritation potential
Evaluation of potential chemical-induced eye injury through irritation and corrosion is required to ensure occupational and consumer safety for industrial, household and cosmetic ingredient chemicals. The historical method for evaluating eye irritant and corrosion potential of chemicals is the rabbit Draize test.
Property-Based Optimization of Pharmaceutical Lead Compounds
This application note demonstrates how the Structure Design Engine can aid the lead optimization process by helping the chemist to apply physicochemical and ADME knowledge and focus synthetic efforts on compounds that meet project requirements.
ACD/Labs Releases ACD/Labs Percepta
Reliable in-silico prediction tools for physicochemical properties, ADME characteristics, toxicity endpoints, structure design, and optimization, in one seamless software platform. Toronto, Canada (October 24, 2011)—ACD/Labs is pleased to announce the release of ACD/Labs Percepta, an advanced software platform for accurate in silico ADME/Tox and physicochemical property prediction, at AAPS 2011. The next generation of ACD/Labs...