Igor V. Tetko 人物
Igor V. Tetko · 相关论文
Virtual Computational Chemistry Laboratory – Design and Description
2005Journal of Computer-Aided Molecular Design引用 1498
Extended Functional Groups (EFG): An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds
2015Molecules引用 1043顶会
QSAR without borders
2020Chemical Society Reviews引用 829
Neural network studies. 1. Comparison of overfitting and overtraining
1995Journal of Chemical Information and Computer Sciences引用 673
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
2011Journal of Computer-Aided Molecular Design引用 669
Calculation of Molecular Lipophilicity: State-of-the-Art and Comparison of LogP Methods on more than 96,000 Compounds
2008Journal of Pharmaceutical Sciences引用 651
Application of Associative Neural Networks for Prediction of Lipophilicity in ALOGPS 2.1 Program
2002Journal of Chemical Information and Computer Sciences引用 614
Critical Assessment of QSAR Models of Environmental Toxicity against <i>Tetrahymena pyriformis:</i> Focusing on Applicability Domain and Overfitting by Variable Selection
2008Journal of Chemical Information and Modeling引用 408
CERAPP: Collaborative Estrogen Receptor Activity Prediction Project
2016Environmental Health Perspectives引用 364顶会
Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices
2001Journal of Chemical Information and Computer Sciences引用 334