A unified approach to the applicability domain problem of QSAR models

द्वारा Horvath, Dragos, Marcou, Gilles, Varnek, Alexandre
प्रकाशित 2010

Generative Topographic Mapping of the Docking Conformational Space

द्वारा Horvath, Dragos, Marcou, Gilles, Varnek, Alexandre
में प्रकाशित Molecules (2019)

Simple Ligand–Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparison

द्वारा Chupakhin, Vladimir, Marcou, Gilles, Gaspar, Helena, Varnek, Alexandre
प्रकाशित 2014

S4MPLE—Sampler for Multiple Protein-Ligand Entities: Methodology and Rigid-Site Docking Benchmarking

द्वारा Hoffer, Laurent, Chira, Camelia, Marcou, Gilles, Varnek, Alexandre, Horvath, Dragos
में प्रकाशित Molecules (2015)

Parallel Generative Topographic Mapping: An Efficient Approach for Big Data Handling

द्वारा Lin, Arkadii, Baskin, Igor I., Marcou, Gilles, Horvath, Dragos, Beck, Bernd, Varnek, Alexandre
में प्रकाशित Mol Inform (2020)

DMSO Solubility Assessment for Fragment-Based Screening

द्वारा Baybekov, Shamkhal, Marcou, Gilles, Ramos, Pascal, Saurel, Olivier, Galzi, Jean-Luc, Varnek, Alexandre
में प्रकाशित Molecules (2021)

A Chemographic Audit of anti‐Coronavirus Structure‐activity Information from Public Databases (ChEMBL)

द्वारा Horvath, Dragos, Orlov, Alexey, Osolodkin, Dmitry I., Ishmukhametov, Aydar A., Marcou, Gilles, Varnek, Alexandre
में प्रकाशित Mol Inform (2020)

Discovery of novel chemical reactions by deep generative recurrent neural network

द्वारा Bort, William, Baskin, Igor I., Gimadiev, Timur, Mukanov, Artem, Nugmanov, Ramil, Sidorov, Pavel, Marcou, Gilles, Horvath, Dragos, Klimchuk, Olga, Madzhidov, Timur, Varnek, Alexandre
में प्रकाशित Sci Rep (2021)

In Silico Mining for Antimalarial Structure-Activity Knowledge and Discovery of Novel Antimalarial Curcuminoids

द्वारा Viira, Birgit, Gendron, Thibault, Lanfranchi, Don Antoine, Cojean, Sandrine, Horvath, Dragos, Marcou, Gilles, Varnek, Alexandre, Maes, Louis, Maran, Uko, Loiseau, Philippe M., Davioud-Charvet, Elisabeth
में प्रकाशित Molecules (2016)

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

द्वारा Sushko, Iurii, Novotarskyi, Sergii, Körner, Robert, Pandey, Anil Kumar, Rupp, Matthias, Teetz, Wolfram, Brandmaier, Stefan, Abdelaziz, Ahmed, Prokopenko, Volodymyr V., Tanchuk, Vsevolod Y., Todeschini, Roberto, Varnek, Alexandre, Marcou, Gilles, Ertl, Peter, Potemkin, Vladimir, Grishina, Maria, Gasteiger, Johann, Schwab, Christof, Baskin, Igor I., Palyulin, Vladimir A., Radchenko, Eugene V., Welsh, William J., Kholodovych, Vladyslav, Chekmarev, Dmitriy, Cherkasov, Artem, Aires-de-Sousa, Joao, Zhang, Qing-You, Bender, Andreas, Nigsch, Florian, Patiny, Luc, Williams, Antony, Tkachenko, Valery, Tetko, Igor V.
प्रकाशित 2011

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

द्वारा Mansouri, Kamel, Kleinstreuer, Nicole, Abdelaziz, Ahmed M., Alberga, Domenico, Alves, Vinicius M., Andersson, Patrik L., Andrade, Carolina H., Bai, Fang, Balabin, Ilya, Ballabio, Davide, Benfenati, Emilio, Bhhatarai, Barun, Boyer, Scott, Chen, Jingwen, Consonni, Viviana, Farag, Sherif, Fourches, Denis, García-Sosa, Alfonso T., Gramatica, Paola, Grisoni, Francesca, Grulke, Chris M., Hong, Huixiao, Horvath, Dragos, Hu, Xin, Huang, Ruili, Jeliazkova, Nina, Li, Jiazhong, Li, Xuehua, Liu, Huanxiang, Manganelli, Serena, Mangiatordi, Giuseppe F., Maran, Uko, Marcou, Gilles, Martin, Todd, Muratov, Eugene, Nguyen, Dac-Trung, Nicolotti, Orazio, Nikolov, Nikolai G., Norinder, Ulf, Papa, Ester, Petitjean, Michel, Piir, Geven, Pogodin, Pavel, Poroikov, Vladimir, Qiao, Xianliang, Richard, Ann M., Roncaglioni, Alessandra, Ruiz, Patricia, Rupakheti, Chetan, Sakkiah, Sugunadevi, Sangion, Alessandro, Schramm, Karl-Werner, Selvaraj, Chandrabose, Shah, Imran, Sild, Sulev, Sun, Lixia, Taboureau, Olivier, Tang, Yun, Tetko, Igor V., Todeschini, Roberto, Tong, Weida, Trisciuzzi, Daniela, Tropsha, Alexander, Van Den Driessche, George, Varnek, Alexandre, Wang, Zhongyu, Wedebye, Eva B., Williams, Antony J., Xie, Hongbin, Zakharov, Alexey V., Zheng, Ziye, Judson, Richard S.
में प्रकाशित Environ Health Perspect (2020)

CATMoS: Collaborative Acute Toxicity Modeling Suite

द्वारा Mansouri, Kamel, Karmaus, Agnes L., Fitzpatrick, Jeremy, Patlewicz, Grace, Pradeep, Prachi, Alberga, Domenico, Alepee, Nathalie, Allen, Timothy E.H., Allen, Dave, Alves, Vinicius M., Andrade, Carolina H., Auernhammer, Tyler R., Ballabio, Davide, Bell, Shannon, Benfenati, Emilio, Bhattacharya, Sudin, Bastos, Joyce V., Boyd, Stephen, Brown, J.B., Capuzzi, Stephen J., Chushak, Yaroslav, Ciallella, Heather, Clark, Alex M., Consonni, Viviana, Daga, Pankaj R., Ekins, Sean, Farag, Sherif, Fedorov, Maxim, Fourches, Denis, Gadaleta, Domenico, Gao, Feng, Gearhart, Jeffery M., Goh, Garett, Goodman, Jonathan M., Grisoni, Francesca, Grulke, Christopher M., Hartung, Thomas, Hirn, Matthew, Karpov, Pavel, Korotcov, Alexandru, Lavado, Giovanna J., Lawless, Michael, Li, Xinhao, Luechtefeld, Thomas, Lunghini, Filippo, Mangiatordi, Giuseppe F., Marcou, Gilles, Marsh, Dan, Martin, Todd, Mauri, Andrea, Muratov, Eugene N., Myatt, Glenn J., Nguyen, Dac-Trung, Nicolotti, Orazio, Note, Reine, Pande, Paritosh, Parks, Amanda K., Peryea, Tyler, Polash, Ahsan H., Rallo, Robert, Roncaglioni, Alessandra, Rowlands, Craig, Ruiz, Patricia, Russo, Daniel P., Sayed, Ahmed, Sayre, Risa, Sheils, Timothy, Siegel, Charles, Silva, Arthur C., Simeonov, Anton, Sosnin, Sergey, Southall, Noel, Strickland, Judy, Tang, Yun, Teppen, Brian, Tetko, Igor V., Thomas, Dennis, Tkachenko, Valery, Todeschini, Roberto, Toma, Cosimo, Tripodi, Ignacio, Trisciuzzi, Daniela, Tropsha, Alexander, Varnek, Alexandre, Vukovic, Kristijan, Wang, Zhongyu, Wang, Liguo, Waters, Katrina M., Wedlake, Andrew J., Wijeyesakere, Sanjeeva J., Wilson, Dan, Xiao, Zijun, Yang, Hongbin, Zahoranszky-Kohalmi, Gergely, Zakharov, Alexey V., Zhang, Fagen F., Zhang, Zhen, Zhao, Tongan, Zhu, Hao, Zorn, Kimberley M., Casey, Warren, Kleinstreuer, Nicole C.
में प्रकाशित Environ Health Perspect (2021)

Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite

द्वारा Mansouri, Kamel, Karmaus, Agnes, Fitzpatrick, Jeremy, Patlewicz, Grace, Pradeep, Prachi, Alberga, Domenico, Alepee, Nathalie, Allen, Timothy E.H., Allen, Dave, Alves, Vinicius M., Andrade, Carolina H., Auernhammer, Tyler R., Ballabio, Davide, Bell, Shannon, Benfenati, Emilio, Bhattacharya, Sudin, Bastos, Joyce V., Boyd, Stephen, Brown, J.B., Capuzzi, Stephen J., Chushak, Yaroslav, Ciallella, Heather, Clark, Alex M., Consonni, Viviana, Daga, Pankaj R., Ekins, Sean, Farag, Sherif, Fedorov, Maxim, Fourches, Denis, Gadaleta, Domenico, Gao, Feng, Gearhart, Jeffery M., Goh, Garett, Goodman, Jonathan M., Grisoni, Francesca, Grulke, Christopher M., Hartung, Thomas, Hirn, Matthew, Karpov, Pavel, Korotcov, Alexandru, Lavado, Giovanna J., Lawless, Michael, Li, Xinhao, Luechtefeld, Thomas, Lunghini, Filippo, Mangiatordi, Giuseppe F., Marcou, Gilles, Marsh, Dan, Martin, Todd, Mauri, Andrea, Muratov, Eugene N., Myatt, Glenn J., Nguyen, Dac-Trung, Nicolotti, Orazio, Note, Reine, Pande, Paritosh, Parks, Amanda K., Peryea, Tyler, Polash, Ahsan, Rallo, Robert, Roncaglioni, Alessandra, Rowlands, Craig, Ruiz, Patricia, Russo, Daniel, Sayed, Ahmed, Sayre, Risa, Sheils, Timothy, Siegel, Charles, Silva, Arthur C., Simeonov, Anton, Sosnin, Sergey, Southall, Noel, Strickland, Judy, Tang, Yun, Teppen, Brian, Tetko, Igor V., Thomas, Dennis, Tkachenko, Valery, Todeschini, Roberto, Toma, Cosimo, Tripodi, Ignacio, Trisciuzzi, Daniela, Tropsha, Alexander, Varnek, Alexandre, Vukovic, Kristijan, Wang, Zhongyu, Wang, Liguo, Waters, Katrina M., Wedlake, Andrew J., Wijeyesakere, Sanjeeva J., Wilson, Dan, Xiao, Zijun, Yang, Hongbin, Zahoranszky-Kohalmi, Gergely, Zakharov, Alexey V., Zhang, Fagen F., Zhang, Zhen, Zhao, Tongan, Zhu, Hao, Zorn, Kimberley M., Casey, Warren, Kleinstreuer, Nicole C.
में प्रकाशित Environ Health Perspect (2021)