The development of medications to treat cocaine use disorders has thus far defied success, leaving this patient population without pharmacotherapeutic options. As the dopamine transporter (DAT) plays

NIAID Data Ecosystem30

QDB archive #30

毒力预测

QSAR模型

This QDB archive contains data and model(s) from the following publication: Cronin, M.T.D.; Aptula, A.O.; Duffy, J.C.; Netzeva, T.I.; Rowe, P.H.; Valkova, I.V.; Schultz, T.W. Comparative assessment of

DataCite Commons2020-10-10 更新30

Additional file 2 of CardioTox net: a robust predictor for hERG channel blockade based on deep learning meta-feature ensembles

毒力预测

深度学习

Additional file 2: List of molecular descriptors used for the development of the descriptor-based FCNND. Information on atom descriptors used for the development of the graph-based GCNN model.

DataCite Commons2024-03-01 更新40

Additional file 1 of The kernel-weighted local polynomial regression (KwLPR) approach: an efficient, novel tool for development of QSAR/QSAAR toxicity extrapolation models

计算毒理学

毒力预测

Additional file 1. Input data for Case study-1.

Figshare2021-02-13 更新30