Prediction accuracy of production ADMET models as a function of version: activity cliffs rule

RP Sheridan, JC Culberson, E Joshi… - Journal of Chemical …, 2022 - ACS Publications
As with many other institutions, our company maintains many quantitative structure-activity
relationship (QSAR) models of absorption, distribution, metabolism, excretion, and toxicity …

[HTML][HTML] Multiscale modelling of drug mechanism and safety

JD Zhang, L Sach-Peltason, C Kramer, K Wang… - Drug discovery today, 2020 - Elsevier
Highlights•We introduce models at molecular, cellular and omics, and organ and system
levels.•Models share mathematics as the language and informatics as a tool to study …

Stability of prediction in production ADMET models as a function of version: why and when predictions change

RP Sheridan - Journal of Chemical Information and Modeling, 2022 - ACS Publications
As with other pharma companies, we maintain production QSAR models of ADMET end
points and update them regularly. Here, for six ADMET end points, we examine the …

大数据驱动下饲料行业智能化转型困境与对策.

李松菲, 龙淼 - Feed Industry, 2024 - search.ebscohost.com
随着大数据时代的到来, 传统饲料行业向智能化转型已成为行业的必然趋势, 抓住这一机遇,
积极推动智能化转型, 将成为饲料企业取得成功的重要因素之一. 大数据技术的发展与应用推动 …

Computational Discovery of Drug-Target Interaction

GPACG Coelho - 2018 - search.proquest.com
A descoberta de antibióticos foi rapidamente seguida por um aumento da resistência
bacterial aos mesmos. Esta resistência torna necessária a descoberta de novos fármacos …