A. Varnek
发表
Jürgen Bajorath,
Alexandre Varnek,
Dragos Horvath,
2017,
J. Chem. Inf. Model..
I. Tetko,
D. Fourches,
D. Horvath,
2008
.
D. Horvath,
A. Varnek,
G. Marcou,
2010,
Molecular informatics.
D. Fourches,
A. Varnek,
O. Klimchuk,
2007
.
A. Varnek,
G. Marcou,
2019,
Encyclopedia of Big Data Technologies.
E. Van Miert,
A. Varnek,
G. Marcou,
2020,
SAR and QSAR in environmental research.
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2018,
ChemMedChem.
D. Horvath,
A. Varnek,
G. Marcou,
2019,
Molecular informatics.
A. Varnek,
V. Solov'ev,
G. Marcou,
2011
.
A. Varnek,
Randy J. Zauhar,
R. Zauhar,
1996
.
J. Dearden,
R. Todeschini,
R. Cramer,
2014,
Journal of medicinal chemistry.
D. Horvath,
A. Varnek,
G. Marcou,
2020,
SAR and QSAR in environmental research.
D. Horvath,
A. Varnek,
P. Roche,
2018,
Journal of medicinal chemistry.
A. Varnek,
G. Marcou,
Christophe Muller,
2018
.
Igor I. Baskin,
A. Varnek,
Timur I. Madzhidov,
2014,
Journal of Structural Chemistry.
Igor I. Baskin,
Alexandre Varnek,
Timur I. Madzhidov,
2014,
Russian Journal of Organic Chemistry.
Timur I. Madzhidov,
R. I. Nugmanov,
Igor S. Antipin,
2015,
Journal of Structural Chemistry.
Dragos Horvath,
Gilles Marcou,
Christophe Muller,
2012,
J. Chem. Inf. Model..
Alexandre Varnek,
Timur Gimadiev,
Pavel Polishchuk,
2018,
Molecular informatics.
Igor I. Baskin,
A. Varnek,
Timur I. Madzhidov,
2017,
Journal of Structural Chemistry.
G Marcou,
A Varnek,
E. Muratov,
2012,
Molecular informatics.
Gilles Marcou,
Alexandre Varnek,
Héléna A. Gaspar,
2014,
Computational and structural biotechnology journal.
G Marcou,
A Varnek,
A. Varnek,
2011,
The journal of physical chemistry. B.
Ruili Huang,
Igor V. Tetko,
Eva Bay Wedebye,
2016,
Environmental health perspectives.
A. Yu. Tsivadze,
A. Varnek,
V. Solov'ev,
2006
.
V. A. Palyulin,
D. Horvath,
A. Varnek,
2019,
Molecular informatics.
D. Horvath,
A. Varnek,
G. Marcou,
2018,
Molecular informatics.
D. Horvath,
A. Varnek,
G. Marcou,
2019,
Drug discovery today. Technologies.
D. Horvath,
A. Varnek,
G. Marcou,
2013
.
A. Varnek,
V. Solov'ev,
G. Marcou,
2012
.
A. Varnek,
V. Solov'ev,
G. Marcou,
2012,
Journal of Inclusion Phenomena and Macrocyclic Chemistry.
A. Legin,
A. Varnek,
D. Kirsanov,
2019
.
E. Davioud‐Charvet,
D. Horvath,
A. Varnek,
2016,
ChemMedChem.
V. M. Kabanov,
Tetiana M. Khristova,
T. Langer,
2015,
Journal of medicinal chemistry.
E. Van Miert,
A. Varnek,
G. Marcou,
2020,
SAR and QSAR in environmental research.
D. Horvath,
A. Varnek,
V. Solov'ev,
2016,
Molecular informatics.
A. Varnek,
V. Solov'ev,
2020,
Journal of Inclusion Phenomena and Macrocyclic Chemistry.
A. Legin,
A. Varnek,
V. Solov'ev,
2020
.
Ruili Huang,
Igor V. Tetko,
Eva Bay Wedebye,
2016
.
D. Horvath,
A. Varnek,
G. Marcou,
2018,
Molecular informatics.
A. Varnek,
V. Solov'ev,
2017
.
A. Varnek,
V. Solov'ev,
G. Marcou,
2019,
Molecular informatics.
A. Varnek,
G. Marcou,
S. Pieraccini,
2022,
International journal of molecular sciences.
Arkadii I. Lin,
H. Ceulemans,
A. Varnek,
2020,
Molecular informatics.
Didier Rognan,
Alexandre Varnek,
D. Rognan,
2014,
Molecular informatics.
Fiorella Ruggiu,
Patrick Gizzi,
Jacques Haiech,
2014,
Analytical chemistry.
A. Varnek,
I. Baskin,
P. Polishchuk,
2020,
J. Chem. Inf. Model..
A. Varnek,
I. Baskin,
2013,
1311.3723.
D. Horvath,
A. Varnek,
O. Klimchuk,
2022,
Molecules.
D. Horvath,
A. Varnek,
G. Marcou,
2020,
Molecular informatics.
A. Varnek,
J. Gisselbrecht,
A. Al Ouahabi,
2012,
The Journal of organic chemistry.
E. Davioud‐Charvet,
D. Horvath,
A. Varnek,
2016,
Molecules.
D. Horvath,
E. Van Miert,
A. Varnek,
2019,
SAR and QSAR in environmental research.
V. M. Kabanov,
Tetiana M. Khristova,
A. Varnek,
2011,
Bioorganic & medicinal chemistry letters.
D. Horvath,
A. Varnek,
O. Klimchuk,
2020,
Scientific Reports.
Igor A. Levandovskiy,
D. Horvath,
A. Varnek,
2017,
Bioorganic & medicinal chemistry letters.
Alexandre Varnek,
Timur I. Madzhidov,
Arkadii I. Lin,
2016,
J. Chem. Inf. Model..
A. Varnek,
G. Cote,
A. Chagnes,
2013
.
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2017
.
Igor I Baskin,
Alexandre Varnek,
Natalia Kireeva,
2010,
Molecular informatics.
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2020,
J. Chem. Inf. Model..
Alexandre Varnek,
Dragos Horvath,
Olena Savych,
2019,
Drug discovery today.
A. Varnek,
S. Cianférani,
J. Strub,
2019,
European Journal of Organic Chemistry.
Fiorella Ruggiu,
Dragos Horvath,
Gilles Marcou,
2014,
Molecular informatics.
Gilles Marcou,
Alexandre Varnek,
Dragos Horvath,
2012,
J. Chem. Inf. Model..
A. Varnek,
A. Bilyk,
G. Wipff,
1999
.
Alexandre Varnek,
Vitaly P. Solov'ev,
Aslan Yu. Tsivadze,
2014,
Journal of Computer-Aided Molecular Design.
A. Varnek,
A. Virovets,
M. Rohmer,
2007
.
A. Varnek,
V. Kalchenko,
G. Wipff,
2002
.
A. Varnek,
V. A. Varnek,
1997
.
Alexandre Varnek,
Vitaly P. Solov'ev,
Georges Wipff,
2002,
J. Chem. Inf. Comput. Sci..
D. Horvath,
A. Varnek,
G. Marcou,
2022,
ACS central science.
V. Babain,
I. Smirnov,
A. Varnek,
2004
.
I. Smirnov,
A. Varnek,
O. Klimchuk,
2002
.
A. Varnek,
G. Wipff,
P. Guilbaud,
1993
.
A. Varnek,
G. Wipff,
1996
.
A. Varnek,
G. Wipff,
1999
.
A. Varnek,
O. Klimchuk,
V. Kalchenko,
2011
.
A. Varnek,
V. Kalchenko,
G. Wipff,
2005
.
V. Babain,
I. Smirnov,
A. Varnek,
2002
.
A. Varnek,
V. Solov'ev,
A. Tsivadze,
2013,
Journal of Inclusion Phenomena and Macrocyclic Chemistry.
Alexandre Varnek,
Vitaly P. Solov'ev,
A. Yu. Tsivadze,
2012
.
Igor V. Tetko,
Nicolas Lachiche,
Frank Hoonakker,
2006,
J. Chem. Inf. Model..
Alexandre Varnek,
Vitaly P. Solov'ev,
Georges Wipff,
2000,
J. Chem. Inf. Comput. Sci..
A. Varnek,
J. Gisselbrecht,
P. Baxter,
2013,
Chemistry.
A. Varnek,
L. Troxler,
G. Wipff,
1997
.
A. Varnek,
M. Raimondi,
G. Wipff,
2002
.
C. Sirlin,
A. Varnek,
G. Wipff,
1996
.
Alexandre Varnek,
D. Feil,
Georges Wipff,
1995,
J. Comput. Chem..
A. Varnek,
V. P. Solovev,
A. A. Varnek,
2004
.
A. Varnek,
G. Wipff,
A. Collet,
1998
.
A. Varnek,
L. Troxler,
G. Wipff,
1996
.
A. Varnek,
G. Marcou,
D. Fourches,
2008
.
A. Varnek,
G. Wipff,
A. Varnek,
1996
.
A. Varnek,
S. Cianférani,
J. Gisselbrecht,
2017
.
Igor I. Baskin,
Alexandre Varnek,
Nelly I. Zhokhova,
2015,
Journal of Computer-Aided Molecular Design.
Alexandre Varnek,
Mati Karelson,
Minati Kuanar,
2005,
Bioorganic & medicinal chemistry.
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2015,
Chemistry.
Tudor I. Oprea,
Rommie E. Amaro,
G. Schneider,
2021,
Chemical Society reviews.
Igor I. Baskin,
Héléna A. Gaspar,
A. Varnek,
2016
.
Alexandre Varnek,
Vitaly P. Solov'ev,
Georges Wipff,
1998
.
A. Varnek,
M. Gross,
S. Meyer,
2000
.
Alexandre Varnek,
Evgeny Kondratovich,
Igor I. Baskin,
2013,
Molecular informatics.
Gilles Marcou,
Alexandre Varnek,
Dragos Horvath,
2016,
J. Chem. Inf. Model..
Igor I. Baskin,
Dragos Horvath,
Gilles Marcou,
2017
.
Igor I. Baskin,
Dragos Horvath,
Gilles Marcou,
2017
.
Igor I. Baskin,
Alexandre Varnek,
A. Varnek,
2012,
J. Chem. Inf. Model..
Alexandre Varnek,
Timur I. Madzhidov,
Pavel G. Polishchuk,
2013,
Journal of Computer-Aided Molecular Design.
D. Horvath,
A. Varnek,
G. Marcou,
2021,
Environmental science & technology.
Igor I. Baskin,
Gilles Marcou,
Vladimir I. Chupakhin,
2013,
J. Chem. Inf. Model..
Igor V. Tetko,
Hao Zhu,
Alexandre Varnek,
2008,
J. Chem. Inf. Model..
Kimberley M. Zorn,
Daniel P. Russo,
Timothy E. H. Allen,
2021,
Environmental health perspectives.
Artem Cherkasov,
Tudor I. Oprea,
Jürgen Bajorath,
2020,
Chemical Society reviews.
D. Horvath,
A. Varnek,
G. Marcou,
2023,
bioRxiv.
V. Poroikov,
D. Horvath,
A. Varnek,
2021,
bioRxiv.
Bernd Beck,
Gilles Marcou,
Alexandre Varnek,
2019,
Journal of Computer-Aided Molecular Design.
Héléna A. Gaspar,
I I Baskin,
H A Gaspar,
2015,
Molecular informatics.
Gilles Marcou,
Alexandre Varnek,
Dragos Horvath,
2014
.
Igor I. Baskin,
Alexandre Varnek,
Timur I. Madzhidov,
2017
.
Igor V. Tetko,
Artem Cherkasov,
Klaus-Robert Müller,
2010,
J. Chem. Inf. Model..
Igor V. Tetko,
Igor I. Baskin,
Gilles Marcou,
2009,
J. Chem. Inf. Model..
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2021,
J. Chem. Inf. Model..
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2018,
Molecular informatics.
Alexandre Varnek,
A. Varnek,
2011,
Methods in molecular biology.
D. Horvath,
A. Varnek,
G. Marcou,
2019,
ACS Applied Polymer Materials.
Dragos Horvath,
Alexandre Varnek,
Gilles Gérard Marcou,
2020,
J. Chem. Inf. Model..
A. Varnek,
G. Marcou,
P. Hellwig,
2019,
The Analyst.
A. Varnek,
I. Baskin,
2009
.
Ruili Huang,
Scott Boyer,
Xin Hu,
2020,
Environmental health perspectives.
Alexandre Varnek,
Igor I Baskin,
Timur I Madzhidov,
2020,
International journal of molecular sciences.
Alexandre Varnek,
Victor Kuzmin,
Liudmila Ognichenko,
2016,
J. Chem. Inf. Model..
V. M. Kabanov,
Tetiana M. Khristova,
A. Varnek,
2013,
Bioorganic & medicinal chemistry.
Igor V. Tetko,
Igor I. Baskin,
Alexandre Varnek,
2007,
J. Chem. Inf. Model..
Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models
Gilles Marcou,
Alexandre Varnek,
Dragos Horvath,
2009,
J. Chem. Inf. Model..
Jürgen Bajorath,
Dragos Horvath,
Alexandre Varnek,
2019,
European journal of medicinal chemistry.
A. Varnek,
V. Afonina,
V. Burilov,
2021,
International journal of molecular sciences.
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2015,
J. Chem. Inf. Model..
Alexandre Varnek,
Frank Hoonakker,
Denis Fourches,
2005,
J. Comput. Aided Mol. Des..
Alexandre Varnek,
Denis Fourches,
Vitaly P. Solov'ev,
2007
.
Igor V. Tetko,
Hao Zhu,
Artem Cherkasov,
2008,
J. Chem. Inf. Model..
J. D. Lamb,
A. Varnek,
G. Wipff,
1999
.
A. Varnek,
G. Marcou,
P. Hellwig,
2022,
International journal of molecular sciences.
A. Varnek,
G. Marcou,
T. Madzhidov,
2016,
BioNanoScience.
Igor I Baskin,
Alexandre Varnek,
A. Varnek,
2011,
Molecular informatics.
A. Varnek,
J. Lehn,
E. Boldyreva,
2000
.
P. Ertl,
D. Horvath,
A. Varnek,
2021,
Molecular informatics.
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2020,
Molecular informatics.
Dragos Horvath,
Gilles Marcou,
Igor I Baskin,
2019,
J. Chem. Inf. Model..
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2015,
J. Chem. Inf. Model..
Igor I. Baskin,
Alexandre Varnek,
A. Varnek,
2008
.
Gilles Marcou,
Alexandre Varnek,
Dragos Horvath,
2014,
Journal of Computer-Aided Molecular Design.
Igor V. Tetko,
Antony J. Williams,
Artem Cherkasov,
2011,
J. Comput. Aided Mol. Des..
Jürgen Bajorath,
Gilles Marcou,
Alexandre Varnek,
2016,
J. Chem. Inf. Model..
Igor V. Tetko,
Antony J. Williams,
Artem Cherkasov,
2011,
Journal of Cheminformatics.
D. Horvath,
A. Varnek,
G. Marcou,
2022,
Communications Chemistry.
D. Horvath,
A. Varnek,
G. Marcou,
2021
.
Tudor I. Oprea,
I. Tetko,
D. Agrafiotis,
2020,
Chemical Society reviews.
A. Varnek,
V. Afonina,
I. Baskin,
2021,
Mendeleev Communications.
Alban Arrault,
Philippe Vayer,
Dragos Horvath,
2013,
J. Chem. Inf. Model..
D. Horvath,
A. Varnek,
O. Klimchuk,
2021,
J. Chem. Inf. Model..
A. Varnek,
D. Osolodkin,
A. Egorov,
2021,
Frontiers in Pharmacology.
Gilles Marcou,
Alexandre Varnek,
Dragos Horvath,
2018,
Journal of Computer-Aided Molecular Design.
Dragos Horvath,
Alexandre Varnek,
Philippe Roche,
2019,
J. Chem. Inf. Model..
A. Varnek,
I. Baskin,
2021,
Systems Medicine.
A. Varnek,
I. Baskin,
T. Madzhidov,
2021,
SAR and QSAR in environmental research.
Jürgen Bajorath,
Dragos Horvath,
Gilles Marcou,
2018,
J. Chem. Inf. Model..
Dan C. Fara,
Alexandre Varnek,
Alan R. Katritzky,
2004,
J. Chem. Inf. Model..
Marta Glavatskikh,
Dragos Horvath,
Gilles Marcou,
2016,
Molecular informatics.
Igor I. Baskin,
Alexandre Varnek,
Vitaly P. Solov'ev,
2017,
Journal of Computer-Aided Molecular Design.
A. Varnek,
V. Solov'ev,
2010
.
Alexandre Varnek,
Dragos Horvath,
Fanny Bonachéra,
2007,
J. Chem. Inf. Model..
A Varnek,
A. Varnek,
V. Solov'ev,
2005,
Combinatorial chemistry & high throughput screening.
Dan C. Fara,
Hongfang Yang,
Takahiro Suzuki,
2004,
J. Chem. Inf. Model..
E. Van Miert,
A. Varnek,
G. Marcou,
2021,
SAR and QSAR in environmental research (Print).
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2015,
Journal of Computer-Aided Molecular Design.
G Marcou,
F Lunghini,
P Gantzer,
2019,
SAR and QSAR in environmental research.
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2015,
Combinatorial chemistry & high throughput screening.
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2021,
Molecular informatics.
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2021
.
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2016,
J. Chem. Inf. Model..
V. Kukhar,
A. Varnek,
V. E. Khutorskii,
1990
.
Igor V. Tetko,
Artem Cherkasov,
Paola Gramatica,
2008,
Journal of Chemical Information and Modeling.
A. Varnek,
G. Marcou,
R. Schurhammer,
2022,
Journal of Cheminformatics.
S4MPLE—Sampler for Multiple Protein-Ligand Entities: Methodology and Rigid-Site Docking Benchmarking
Dragos Horvath,
Gilles Marcou,
Camelia Chira,
2015,
Molecules.
QSPR models for bioconcentration factor (BCF): are they able to predict data of industrial interest?
G Marcou,
R Patoux,
F Lunghini,
2019,
SAR and QSAR in environmental research.
Dragos Horvath,
Gilles Marcou,
Alexandre Varnek,
2017,
Journal of Computer-Aided Molecular Design.
A. Varnek,
Yu Harabuchi,
Ruben Staub,
2023,
Molecules.
Alexandre Varnek,
A. Tropsha,
A. Varnek,
2008
.
Alexandre Varnek,
Timur I. Madzhidov,
Pavel G. Polishchuk,
2017,
Journal of Computer-Aided Molecular Design.
Arkadii I. Lin,
D. Horvath,
A. Varnek,
2022,
J. Chem. Inf. Model..
Alexandre Varnek,
Timur I Madzhidov,
Ramil I Nugmanov,
2019,
J. Chem. Inf. Model..
Alexandre Varnek,
Mati Karelson,
Kaido Tämm,
2006,
Journal of medicinal chemistry.
D. Horvath,
A. Varnek,
G. Marcou,
2023,
Journal of Chemical Information and Modeling.
D Horvath,
G Marcou,
A Varnek,
2012,
Molecular informatics.
Stephen P. Boyd,
Kimberley M. Zorn,
Daniel P. Russo,
2021,
Environmental health perspectives.
Héléna A. Gaspar,
N Kireeva,
I I Baskin,
2012,
Molecular informatics.
A. Varnek,
S. Maeda,
Pavel Sidorov,
2020,
Journal of Chemical Information and Modeling.
D. Horvath,
A. Varnek,
O. Klimchuk,
2022,
J. Chem. Inf. Model..
A. Varnek,
Pavel Sidorov,
T. Madzhidov,
2021,
J. Chem. Inf. Model..
Nicolas Lachiche,
Frank Hoonakker,
Alexandre Varnek,
2010,
Int. J. Artif. Intell. Tools.
A. Varnek,
I. Baskin,
I. Antipin,
2015
.
A. Varnek,
I. Baskin,
E. Kondratovich,
2013,
Molecular Informatics.
I. Tetko,
A. Tropsha,
Phuong Dao,
2008,
J. Chem. Inf. Model..
Nicolas Lachiche,
Dragos Horvath,
Gilles Marcou,
2018,
Molecular informatics.
Alexandre Varnek,
Igor Baskin,
A. Varnek,
2008,
Combinatorial chemistry & high throughput screening.
A. Varnek,
O. Tinkov,
P. Polishchuk,
2016,
J. Chem. Inf. Model..
Jürgen Bajorath,
Alexandre Varnek,
Dragos Horvath,
2017,
Journal of Computer-Aided Molecular Design.
Héléna A. Gaspar,
D. Horvath,
A. Varnek,
2015,
J. Chem. Inf. Model..
A. Varnek,
V. Solov'ev,
J. E. Elshof,
1992
.
A. Varnek,
B. Creton,
A. Maldonado,
2015
.
I. Tetko,
A. Varnek,
V. Solov'ev,
2007,
J. Chem. Inf. Model..
A. Varnek,
G. Marcou,
P. Hellwig,
2019,
The Analyst.
A. Varnek,
O. Klimchuk,
T. Madzhidov,
2019
.
D. Horvath,
A. Varnek,
G. Marcou,
2023,
J. Chem. Inf. Model..
D. Horvath,
A. Varnek,
G. Marcou,
2023,
J. Chem. Inf. Model..
D. Horvath,
A. Varnek,
G. Marcou,
2023
.
V. M. Kabanov,
Tetiana M. Khristova,
T. Langer,
2015,
Journal of Medicinal Chemistry.
D. Horvath,
A. Varnek,
G. Marcou,
2020,
J. Chem. Inf. Model..
Gilles Marcou,
Alexandre Varnek,
Dragos Horvath,
2013,
J. Chem. Inf. Model..
Gilles Marcou,
Gisbert Schneider,
Alexandre Varnek,
2011,
J. Comput. Aided Mol. Des..
Alexandre Varnek,
Mati Karelson,
Minati Kuanar,
2006,
Bioorganic & medicinal chemistry.
A. Varnek,
Pavel Sidorov,
T. Gimadiev,
2023,
Angewandte Chemie.
Alexandre Varnek,
Philippe Azam,
Filippo Lunghini,
2020,
Molecular informatics.
Arkadii I. Lin,
H. Ceulemans,
A. Varnek,
2021,
Molecular informatics.
Arkadii I. Lin,
O. Engkvist,
D. Horvath,
2019
.
Fiorella Ruggiu,
Patrick Gizzi,
Jean-Luc Galzi,
2014
.