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Journal of Cheminformatics
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March 17, 2018
Comment on "The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability"
M Šícho, M Voršilák, D Svozil
Journal of Cheminformatics
|
December 20, 2018
A probabilistic molecular fingerprint for big data settings
Daniel Probst, Jean-Louis Reymond
Journal of Cheminformatics
|
January 12, 2019
LSTMVoter: chemical named entity recognition using a conglomerate of sequence labeling tools
Wahed Hemati, Alexander Mehler
Journal of Cheminformatics
|
January 12, 2019
Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery
Nicolas Bosc, Francis Atkinson, Eloy Felix, et al.
Journal of Cheminformatics
|
December 23, 2017
11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015
Uli Fechner, Chris de Graaf, Andrew E Torda, et al.
Journal of Cheminformatics
|
February 6, 2019
Chemoinformatics and structural bioinformatics in OCaml
Francois Berenger, Kam Y J Zhang, Yoshihiro Yamanishi
Journal of Cheminformatics
|
February 4, 2019
Avoiding hERG-liability in drug design via synergetic combinations of different (Q)SAR methodologies and data sources: a case study in an industrial setting
Thierry Hanser, Fabian P Steinmetz, Jeffrey Plante, et al.
Journal of Cheminformatics
|
March 9, 2018
Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening
Rafaela Gladysz, Fabio Mendes Dos Santos, Wilfried Langenaeker, et al.
Journal of Cheminformatics
|
July 5, 2016
Leveraging 3D chemical similarity, target and phenotypic data in the identification of drug-protein and drug-adverse effect associations
Santiago Vilar, George Hripcsak
Journal of Cheminformatics
|
July 30, 2021
Ensemble completeness in conformer sampling: the case of small macrocycles
Lea Seep, Anne Bonin, Katharina Meier, et al.
Page
of 144
Search research articles
Search
Showing results (81-90 of 1,436) with videos related to
Sort By:
Page
of 144
Journal of Cheminformatics
|
March 17, 2018
Comment on "The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability"
M Šícho, M Voršilák, D Svozil
Journal of Cheminformatics
|
December 20, 2018
A probabilistic molecular fingerprint for big data settings
Daniel Probst, Jean-Louis Reymond
Journal of Cheminformatics
|
January 12, 2019
LSTMVoter: chemical named entity recognition using a conglomerate of sequence labeling tools
Wahed Hemati, Alexander Mehler
Journal of Cheminformatics
|
January 12, 2019
Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery
Nicolas Bosc, Francis Atkinson, Eloy Felix, et al.
Journal of Cheminformatics
|
December 23, 2017
11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015
Uli Fechner, Chris de Graaf, Andrew E Torda, et al.
Journal of Cheminformatics
|
February 6, 2019
Chemoinformatics and structural bioinformatics in OCaml
Francois Berenger, Kam Y J Zhang, Yoshihiro Yamanishi
Journal of Cheminformatics
|
February 4, 2019
Avoiding hERG-liability in drug design via synergetic combinations of different (Q)SAR methodologies and data sources: a case study in an industrial setting
Thierry Hanser, Fabian P Steinmetz, Jeffrey Plante, et al.
Journal of Cheminformatics
|
March 9, 2018
Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening
Rafaela Gladysz, Fabio Mendes Dos Santos, Wilfried Langenaeker, et al.
Journal of Cheminformatics
|
July 5, 2016
Leveraging 3D chemical similarity, target and phenotypic data in the identification of drug-protein and drug-adverse effect associations
Santiago Vilar, George Hripcsak
Journal of Cheminformatics
|
July 30, 2021
Ensemble completeness in conformer sampling: the case of small macrocycles
Lea Seep, Anne Bonin, Katharina Meier, et al.
Page
of 144