Konstantin V. Balakin

Drug Discovery Using Support Vector Machines. The Case Studies of Drug-likeness, Agrochemical-likeness, and Enzyme Inhibition Predictions

Vladimir V. Zernov, Konstantin V. Balakin, Andrey A. Ivaschenko et al. · Journal of Chemical Information and Computer Sciences · 2003 · 207 citations

Pharmacy, Computer Science, Medicinal Chemistry +17

Integration of Virtual Screening with High-Throughput Flow Cytometry to Identify Novel Small Molecule Formylpeptide Receptor Antagonists

Bruce S. Edwards, Cristian Bologa, Susan Young et al. · Molecular Pharmacology · 2005 · 99 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Modeling of Human Cytochrome P450-Mediated Drug Metabolism Using Unsupervised Machine Learning Approach

Konstantin V. Balakin, Yuri Nikolsky, Eugene Kirillov et al. · Journal of Medicinal Chemistry · 2003 · 87 citations

Medicine, Biochemistry, Pharmacology +17

Synthesis and Structure−Activity Relationship of 4-Substituted 2-(2-Acetyloxyethyl)-8-(morpholine- 4-sulfonyl)pyrrolo[3,4-<i>c</i>]quinoline- 1,3-diones as Potent Caspase-3 Inhibitors

Yulia A. Kuzovkova, Volodymyr Kysil, Sergey E. Tkachenko et al. · Journal of Medicinal Chemistry · 2005 · 84 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +13

Insights for Human Ether-a-Go-Go-Related Gene Potassium Channel Inhibition Using Recursive Partitioning and Kohonen and Sammon Mapping Techniques

Sean Ekins, Konstantin V. Balakin, Nikolay Savchuk et al. · Journal of Medicinal Chemistry · 2006 · 82 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17