Mathematically modeling CD8+ T cell-mediated drug induced liver injury (DILI): from ovalbumin to amodiaquine in mice

Mathematically modeling CD8+ T cell-mediated drug induced liver injury (DILI): from ovalbumin to amodiaquine in mice

Conference: ACoP
Software: DILIsym®
Division: DILIsym Services

Idiosyncratic drug-induced liver injury (iDILI) is poorlynunderstood, but there is evidence to support that some iDILI events may be immune-mediated.

Novel Synthesis and Antiviral Evaluation of New Benzothiazole-Bearing N-Sulfonamide 2-Pyridone Derivatives as USP7 Enzyme Inhibitors

Novel Synthesis and Antiviral Evaluation of New Benzothiazole-Bearing N-Sulfonamide 2-Pyridone Derivatives as USP7 Enzyme Inhibitors

Publication: ACS Omega
Software: ADMET Predictor®

In this article, a series of benzothiazole-bearing N-sulfonamide 2-pyridone derivatives were synthesized via the reaction of benzothiazole...

SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules

SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules

Publication: Sci Data
Software: ADMET Predictor®

We have made available a database of over 1 billion compounds predicted to be easily synthesizable, called Synthetically Accessible Virtual Inventory (SAVI).

Artificial intelligence and automation in computer aided synthesis planning

Artificial intelligence and automation in computer aided synthesis planning

Publication: Reaction Chemistry & Engineering
Software: ADMET Predictor®

In this perspective we deal with questions pertaining to the development of synthesis planning technologies over the course of recent years.

Liquid Biopsy Enables Quantification of the Abundance and Interindividual Variability of Hepatic Enzymes and Transporters

Liquid Biopsy Enables Quantification of the Abundance and Interindividual Variability of Hepatic Enzymes and Transporters

Publication: Clinical Pharmacology & Therapeutics
Division: Simulations Plus

Variability in individual capacity for hepatic elimination of therapeutic drugs is well recognized and is associated with variable expression and activity...