Igor I. Baskin
Orcid: 0000-0003-0874-1148
According to our database1,
Igor I. Baskin
authored at least 24 papers
between 1993 and 2022.
Collaborative distances:
Collaborative distances:
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Bibliography
2022
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder.
J. Chem. Inf. Model., 2022
2021
QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach.
J. Chem. Inf. Model., 2021
2019
Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules.
J. Chem. Inf. Model., 2019
De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping.
J. Chem. Inf. Model., 2019
2018
J. Comput. Aided Mol. Des., 2018
2017
J. Comput. Aided Mol. Des., 2017
2015
Chemical Data Visualization and Analysis with Incremental Generative Topographic Mapping: Big Data Challenge.
J. Chem. Inf. Model., 2015
J. Comput. Aided Mol. Des., 2015
2013
Predicting Ligand Binding Modes from Neural Networks Trained on Protein-Ligand Interaction Fingerprints.
J. Chem. Inf. Model., 2013
J. Comput. Aided Mol. Des., 2013
2012
Machine Learning Methods for Property Prediction in Chemoinformatics: <i>Quo Vadis</i>?
J. Chem. Inf. Model., 2012
2011
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Cheminformatics, 2011
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Comput. Aided Mol. Des., 2011
2010
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.
J. Chem. Inf. Model., 2010
2009
Inductive Transfer of Knowledge: Application of Multi-Task Learning and Feature Net Approaches to Model Tissue-Air Partition Coefficients.
J. Chem. Inf. Model., 2009
Proceedings of the Artificial Neural Networks, 2009
2007
Exhaustive QSPR Studies of a Large Diverse Set of Ionic Liquids: How Accurately Can We Predict Melting Points?
J. Chem. Inf. Model., 2007
1998
Molecular Similarity. 1. Analytical Description of the Set of Graph Similarity Measures.
J. Chem. Inf. Comput. Sci., 1998
1997
A Neural Device for Searching Direct Correlations between Structures and Properties of Chemical Compounds.
J. Chem. Inf. Comput. Sci., 1997
1995
J. Chem. Inf. Comput. Sci., 1995
1994
J. Chem. Inf. Comput. Sci., 1994
Spectral Theory of Graphs in Chemistry. 1. Projection Operators and Canonical Numeration of Graph Vertices.
J. Chem. Inf. Comput. Sci., 1994
1993
Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices).
J. Chem. Inf. Comput. Sci., 1993