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Molecular Informatics
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February 29, 2020
Using Machine Learning Methods and Structural Alerts for Prediction of Mitochondrial Toxicity
Jennifer Hemmerich, Florentina Troger, Barbara Füzi, et al.
Chemical Research in Toxicology
|
July 13, 2023
Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets
Aljoša Smajić, Iris Rami, Sergey Sosnin, et al.
Drug Discovery Today. Technologies
|
July 17, 2014
Transporter taxonomy - a comparison of different transport protein classification schemes
Michael Viereck, Anna Gaulton, Daniela Digles, et al.
Molecular Informatics
|
August 3, 2016
Editorial: Sustained Success of Molecular Informatics
Knut Baumann, Gerhard F Ecker, Jordi Mestres, et al.
Molecular Informatics
|
August 2, 2016
Editorial: Molecular Informatics Gaining Impact
Knut Baumann, Gerhard F Ecker, Jordi Mestres, et al.
Journal of Computer-Aided Molecular Design
|
May 21, 2017
Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP
Sankalp Jain, Melanie Grandits, Lars Richter, et al.
Scientific Reports
|
April 12, 2020
Studies of structural determinants of substrate binding in the Creatine Transporter (CreaT, SLC6A8) using molecular models
Claire Colas, Giulia Banci, Riccardo Martini, et al.
Future Medicinal Chemistry
|
April 1, 2015
Novel scaffolds for modulation of TRPV1 identified with pharmacophore modeling and virtual screening
Daria Goldmann, Peter Pakfeifer, Steffen Hering, et al.
European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences
|
October 26, 2010
Synthesis, spasmolytic activity and structure-activity relationship study of a series of polypharmacological thiobenzanilides
Gerda Brunhofer, Christian Studenik, Gerhard F Ecker, et al.
SLAS Discovery : Advancing Life Sciences R & D
|
July 13, 2016
Virtual Screening of DrugBank Reveals Two Drugs as New BCRP Inhibitors
Floriane Montanari, Anna Cseke, Katrin Wlcek, et al.
Page
of 19
Search research articles
Search
Showing results (51-60 of 184) with videos related to
Sort By:
Page
of 19
Molecular Informatics
|
February 29, 2020
Using Machine Learning Methods and Structural Alerts for Prediction of Mitochondrial Toxicity
Jennifer Hemmerich, Florentina Troger, Barbara Füzi, et al.
Chemical Research in Toxicology
|
July 13, 2023
Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets
Aljoša Smajić, Iris Rami, Sergey Sosnin, et al.
Drug Discovery Today. Technologies
|
July 17, 2014
Transporter taxonomy - a comparison of different transport protein classification schemes
Michael Viereck, Anna Gaulton, Daniela Digles, et al.
Molecular Informatics
|
August 3, 2016
Editorial: Sustained Success of Molecular Informatics
Knut Baumann, Gerhard F Ecker, Jordi Mestres, et al.
Molecular Informatics
|
August 2, 2016
Editorial: Molecular Informatics Gaining Impact
Knut Baumann, Gerhard F Ecker, Jordi Mestres, et al.
Journal of Computer-Aided Molecular Design
|
May 21, 2017
Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP
Sankalp Jain, Melanie Grandits, Lars Richter, et al.
Scientific Reports
|
April 12, 2020
Studies of structural determinants of substrate binding in the Creatine Transporter (CreaT, SLC6A8) using molecular models
Claire Colas, Giulia Banci, Riccardo Martini, et al.
Future Medicinal Chemistry
|
April 1, 2015
Novel scaffolds for modulation of TRPV1 identified with pharmacophore modeling and virtual screening
Daria Goldmann, Peter Pakfeifer, Steffen Hering, et al.
European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences
|
October 26, 2010
Synthesis, spasmolytic activity and structure-activity relationship study of a series of polypharmacological thiobenzanilides
Gerda Brunhofer, Christian Studenik, Gerhard F Ecker, et al.
SLAS Discovery : Advancing Life Sciences R & D
|
July 13, 2016
Virtual Screening of DrugBank Reveals Two Drugs as New BCRP Inhibitors
Floriane Montanari, Anna Cseke, Katrin Wlcek, et al.
Page
of 19