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Journal of cheminformatics

Showing results (291-300 of 1,439) with videos related to

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Journal of Cheminformatics|August 25, 2024
BuildAMol: a versatile Python toolkit for fragment-based molecular designNoah Kleinschmidt, Thomas Lemmin
Journal of Cheminformatics|November 6, 2024
Quantitative structure-activity relationships of chemical bioactivity toward proteins associated with molecular initiating events of organ-specific toxicityDomenico Gadaleta, Marina Garcia de Lomana, Eva Serrano-Candelas, et al.
Journal of Cheminformatics|October 29, 2024
Towards the prediction of drug solubility in binary solvent mixtures at various temperatures using machine learningZeqing Bao, Gary Tom, Austin Cheng, et al.
Journal of Cheminformatics|November 15, 2024
QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling ToolHelle W van den Maagdenberg, Martin Šícho, David Alencar Araripe, et al.
Journal of Cheminformatics|August 11, 2024
MolCompass: multi-tool for the navigation in chemical space and visual validation of QSAR/QSPR modelsSergey Sosnin
Journal of Cheminformatics|August 9, 2024
Building shape-focused pharmacophore models for effective docking screeningPaola Moyano-Gómez, Jukka V Lehtonen, Olli T Pentikäinen, et al.
Journal of Cheminformatics|August 6, 2024
Advancements in biotransformation pathway prediction: enhancements, datasets, and novel functionalities in enviPathJasmin Hafner, Tim Lorsbach, Sebastian Schmidt, et al.
Journal of Cheminformatics|August 1, 2024
Implementation of a soft grading system for chemistry in a Moodle plugin: reaction handlingLouis Plyer, Gilles Marcou, Céline Perves, et al.
Journal of Cheminformatics|August 19, 2024
Automatic molecular fragmentation by evolutionary optimisationFiona C Y Yu, Jorge L Gálvez Vallejo, Giuseppe M J Barca
Journal of Cheminformatics|July 5, 2024
Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architectureKohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, et al.
Pageof 144

Showing results (291-300 of 1,439) with videos related to

Sort By:
Pageof 144
Journal of Cheminformatics|August 25, 2024
BuildAMol: a versatile Python toolkit for fragment-based molecular designNoah Kleinschmidt, Thomas Lemmin
Journal of Cheminformatics|November 6, 2024
Quantitative structure-activity relationships of chemical bioactivity toward proteins associated with molecular initiating events of organ-specific toxicityDomenico Gadaleta, Marina Garcia de Lomana, Eva Serrano-Candelas, et al.
Journal of Cheminformatics|October 29, 2024
Towards the prediction of drug solubility in binary solvent mixtures at various temperatures using machine learningZeqing Bao, Gary Tom, Austin Cheng, et al.
Journal of Cheminformatics|November 15, 2024
QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling ToolHelle W van den Maagdenberg, Martin Šícho, David Alencar Araripe, et al.
Journal of Cheminformatics|August 11, 2024
MolCompass: multi-tool for the navigation in chemical space and visual validation of QSAR/QSPR modelsSergey Sosnin
Journal of Cheminformatics|August 9, 2024
Building shape-focused pharmacophore models for effective docking screeningPaola Moyano-Gómez, Jukka V Lehtonen, Olli T Pentikäinen, et al.
Journal of Cheminformatics|August 6, 2024
Advancements in biotransformation pathway prediction: enhancements, datasets, and novel functionalities in enviPathJasmin Hafner, Tim Lorsbach, Sebastian Schmidt, et al.
Journal of Cheminformatics|August 1, 2024
Implementation of a soft grading system for chemistry in a Moodle plugin: reaction handlingLouis Plyer, Gilles Marcou, Céline Perves, et al.
Journal of Cheminformatics|August 19, 2024
Automatic molecular fragmentation by evolutionary optimisationFiona C Y Yu, Jorge L Gálvez Vallejo, Giuseppe M J Barca
Journal of Cheminformatics|July 5, 2024
Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architectureKohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, et al.
Pageof 144