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Refinado por: assunto: Cheminformatics And Quantitative Structure-Activity Relationships remover
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Hydrogen Bond Donor-Acceptor Asymmetries in Drug Design
Hydrogen Bond Donor-Acceptor Asymmetries in Drug Design
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Hydrogen Bond Donor-Acceptor Asymmetries in Drug Design

Kenny, Peter W

figshare 2023

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Hydrogen bond donors in drug design
Hydrogen bond donors in drug design
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Hydrogen bond donors in drug design

Kenny, Peter

figshare 2021

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Hydrogen bonding and drug design (SancaMedChem 2019)
Hydrogen bonding and drug design (SancaMedChem 2019)
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Hydrogen bonding and drug design (SancaMedChem 2019)

Kenny, Peter

figshare 2019

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Prospective deep interactome learning for de novo drug design
Prospective deep interactome learning for de novo drug design
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Prospective deep interactome learning for de novo drug design

Atz, Kenneth ; Cotos, Leandro ; Isert, Clemens ; Håkansson, Maria ; Focht, Dorota ; Hilleke, Mattis ; Nippa, David F. ; Iff, Michael ; Ledergerber, Jann ; Schiebroek, Carl ; Romeo, Valentina ; Schneider, Petra ; Kuhn, Bernd ; Grether, Uwe ; Schneider, Gisbert ; Hiss, Jan

figshare 2024

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5
Repository for "Experimental Uncertainty in Training Data for Protein-Ligand Binding Affinity Prediction Models"
Repository for "Experimental Uncertainty in Training Data for Protein-Ligand Binding Affinity Prediction Models"
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Repository for "Experimental Uncertainty in Training Data for Protein-Ligand Binding Affinity Prediction Models"

Sánchez-Cruz, Norberto

figshare 2023

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6
Calculated molecular electrostatic potential minima for modeling hydrogen bond basicity
Calculated molecular electrostatic potential minima for modeling hydrogen bond basicity
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Calculated molecular electrostatic potential minima for modeling hydrogen bond basicity

Kenny, Peter

figshare 2022

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7
Methodological scheme for conducting analysis of General Druglikeness of the pharmaceutical form
Methodological scheme for conducting analysis of General Druglikeness of the pharmaceutical form
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Methodological scheme for conducting analysis of General Druglikeness of the pharmaceutical form

Tsanov, Vasil

figshare 2023

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Relationship between Stand-alone models, Carcinogenicity in rats and Prolonged oral administration in the assessment of a molecular form for carcinogenicity
Relationship between Stand-alone models, Carcinogenicity in rats and Prolonged oral administration in the assessment of a molecular form for carcinogenicity
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Relationship between Stand-alone models, Carcinogenicity in rats and Prolonged oral administration in the assessment of a molecular form for carcinogenicity

Tsanov, Vasil

figshare 2023

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9
Methodological scheme for assessing the toxicity of the studied molecular form
Methodological scheme for assessing the toxicity of the studied molecular form
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Methodological scheme for assessing the toxicity of the studied molecular form

Tsanov, Vasil

figshare 2023

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10
Methodological scheme for research on the indicators Lipinski's Rule, Ghose Filter and CMC-50-Like Rule and their interrelations
Methodological scheme for research on the indicators Lipinski's Rule, Ghose Filter and CMC-50-Like Rule and their interrelations
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Methodological scheme for research on the indicators Lipinski's Rule, Ghose Filter and CMC-50-Like Rule and their interrelations

Tsanov, Vasil

figshare 2023

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