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Journal of Computer-Aided Molecular Design
|
December 28, 2011
The great descriptor melting pot: mixing descriptors for the common good of QSAR models
Yufeng J Tseng, Anton J Hopfinger, Emilio Xavier Esposito
Methods in Molecular Biology (Clifton, N.J.)
|
May 14, 2004
Methods for applying the quantitative structure-activity relationship paradigm
Emilio Xavier Esposito, Anton J Hopfinger, Jeffry D Madura
Frontiers in Pharmacology
|
March 21, 2018
LeadOp+R: Structure-Based Lead Optimization With Synthetic Accessibility
Fang-Yu Lin, Emilio Xavier Esposito, Yufeng J Tseng
Chemical Research in Toxicology
|
January 22, 2014
Exploring the physicochemical properties of oxime-reactivation therapeutics for cyclosarin, sarin, tabun, and VX inactivated acetylcholinesterase
Emilio Xavier Esposito, Terry R Stouch, Troy Wymore, et al.
Journal of Chemical Information and Modeling
|
May 31, 2012
Predictive toxicology modeling: protocols for exploring hERG classification and Tetrahymena pyriformis end point predictions
Bo-Han Su, Yi-shu Tu, Emilio Xavier Esposito, et al.
Journal of Chemical Information and Modeling
|
March 8, 2013
Oversampling to overcome overfitting: exploring the relationship between data set composition, molecular descriptors, and predictive modeling methods
Chia-Yun Chang, Ming-Tsung Hsu, Emilio Xavier Esposito, et al.
Journal of Chemical Information and Modeling
|
January 2, 2009
Findings of the challenge to predict aqueous solubility
Anton J Hopfinger, Emilio Xavier Esposito, A Llinàs, et al.
Chemical Research in Toxicology
|
August 6, 2016
Biological Testing of Organophosphorus-Inactivated Acetylcholinesterase Oxime Reactivators Identified via Virtual Screening
Jason A Berberich, Terry R Stouch, Sankar Manepalli, et al.
AAPS Pharmscitech
|
April 11, 2014
Experimental and computational studies of physicochemical properties influence NSAID-cyclodextrin complexation
Linda A Felton, Carmen Popescu, Cody Wiley, et al.
Chemical Research in Toxicology
|
April 21, 2011
A comprehensive support vector machine binary hERG classification model based on extensive but biased end point hERG data sets
Meng-Yu Shen, Bo-Han Su, Emilio Xavier Esposito, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Journal of Computer-Aided Molecular Design
|
December 28, 2011
The great descriptor melting pot: mixing descriptors for the common good of QSAR models
Yufeng J Tseng, Anton J Hopfinger, Emilio Xavier Esposito
Methods in Molecular Biology (Clifton, N.J.)
|
May 14, 2004
Methods for applying the quantitative structure-activity relationship paradigm
Emilio Xavier Esposito, Anton J Hopfinger, Jeffry D Madura
Frontiers in Pharmacology
|
March 21, 2018
LeadOp+R: Structure-Based Lead Optimization With Synthetic Accessibility
Fang-Yu Lin, Emilio Xavier Esposito, Yufeng J Tseng
Chemical Research in Toxicology
|
January 22, 2014
Exploring the physicochemical properties of oxime-reactivation therapeutics for cyclosarin, sarin, tabun, and VX inactivated acetylcholinesterase
Emilio Xavier Esposito, Terry R Stouch, Troy Wymore, et al.
Journal of Chemical Information and Modeling
|
May 31, 2012
Predictive toxicology modeling: protocols for exploring hERG classification and Tetrahymena pyriformis end point predictions
Bo-Han Su, Yi-shu Tu, Emilio Xavier Esposito, et al.
Journal of Chemical Information and Modeling
|
March 8, 2013
Oversampling to overcome overfitting: exploring the relationship between data set composition, molecular descriptors, and predictive modeling methods
Chia-Yun Chang, Ming-Tsung Hsu, Emilio Xavier Esposito, et al.
Journal of Chemical Information and Modeling
|
January 2, 2009
Findings of the challenge to predict aqueous solubility
Anton J Hopfinger, Emilio Xavier Esposito, A Llinàs, et al.
Chemical Research in Toxicology
|
August 6, 2016
Biological Testing of Organophosphorus-Inactivated Acetylcholinesterase Oxime Reactivators Identified via Virtual Screening
Jason A Berberich, Terry R Stouch, Sankar Manepalli, et al.
AAPS Pharmscitech
|
April 11, 2014
Experimental and computational studies of physicochemical properties influence NSAID-cyclodextrin complexation
Linda A Felton, Carmen Popescu, Cody Wiley, et al.
Chemical Research in Toxicology
|
April 21, 2011
A comprehensive support vector machine binary hERG classification model based on extensive but biased end point hERG data sets
Meng-Yu Shen, Bo-Han Su, Emilio Xavier Esposito, et al.
Page
of 2