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Table 1 In silico Critical Path Initiative toolkits at the FDA/CDER Office of Pharmaceutical Science, Science and Research Staff

From: In silicotoxicology models and databases as FDA Critical Path Initiative toolkits

Drug safety issue

Description of in silico

project

QT prolongation

FDA Critical Path Initiative

Project: Building an in silico tool

for screening new drugs for QT

prolongation potential, using

human clinical trial data

Phospholipidosis

FDA/CDER working group on

drug-induced phospholipidosis.

Database and development

of predictive computational

models of drug-induced

phospholipidosis

Hepatotoxicity

Collaboration with FDA Office

of Women's Health and Office

of New Drugs Botanical Review

Team in a computational human

health effects study to help

assess the safety of botanical

extracts widely used by women

in the USA to manage

symptoms of the menopause

Ecotoxicology of

pharmaceuticals

Construction of ecotoxicology

models to support FDA/CDER

regulatory assessments on the

environmental fate of

pharmaceuticals

Human-specific drug

metabolite prediction

Exploratory research into utility

and capability of in silico

methods for predicting human

drug-metabolites

Nanotechnology

Exploratory research into use of

computational methods to help

evaluate physico-chemical

properties of nanoparticles