Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process

被引：0
|
作者：
Yurii Sushko
Sergii Novotarskyi
Robert Körner
Joachim Vogt
Ahmed Abdelaziz
Igor V Tetko
机构：
[1] eADMET GmbH,Helmholtz
[2] Institute of Structural Biology,Zentrum München
[3] Kazan Federal University, German Research Centre for Environmental Health (GmbH)
来源：
Journal of Cheminformatics | / 6卷
关键词：
MMP; Matched molecular pairs; QSAR; Interpretation; Molecule optimization; Medicinal chemistry; Inverse QSAR; OCHEM; Online chemical modelling environment;
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