Generalized workflow for generating highly predictive in silico off-target activity models

LT Anger, A Wolf, KJ Schleifer, D Schrenk… - Journal of Chemical …, 2014 - ACS Publications
Chemical structure data and corresponding measured bioactivities of compounds are
nowadays easily available from public and commercial databases. However, these …

QSAR analysis of the acetylcholinesterase inhibitory activity of some tertiary amine derivatives of cinnamic acid

M Nekoeinia, S Yousefinejad - Structural Chemistry, 2021 - Springer
Acetylcholinesterase (AChE) is an essential enzyme in the nervous system that increases
the rate of the hydrolysis of the neurotransmitter acetylcholine. Excessive hydrolysis of …