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OpenEye Scientific Software Inc openeye python toolkit
Openeye Python Toolkit, supplied by OpenEye Scientific Software Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/openeye+python+toolkits/openeye+python+toolkits/pm35959540-72-33-33
Average 90 stars, based on 1 article reviews
openeye python toolkit - by Bioz Stars, 2026-10
90/100 stars

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Article Title: Notch inhibitors for use in the treatment of t-cell acute lymphoblastic leukemia
Article Snippet: Materials and Methods Chemoinformatics A clustering algorithm similar to that previously developed by Stahl and Mauser (Stahl and Mauser, 2005) was generated and used, exploiting the modularity and versatility of the Python scripting language (OpenEye Python Toolkit [OpenEye Toolkits 2015.

Article Title: De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework.
Article Snippet: 2004, 44, 1000−1005. (53) Kingma, D. P. B.; J A In A method for stochastic optimization, 3rd International Conference for Learning Representations, San Diego, CA, US, 2015. (54) OpenEye Python Toolkits.

Article Title: Identification of Promising Drug Candidates against Prostate Cancer through Computationally-Driven Drug Repurposing
Article Snippet: This phase of the ligands preparation was performed with the OpenEye Python toolkits [ ].

Article Title: From Pyrazolones to Azaindoles: Evolution of Active-Site SHP2 Inhibitors Based on Scaffold Hopping and Bioisosteric Replacement.
Article Snippet: The tyrosine phosphatase SHP2 controls the activity of pivotal signaling pathways, including MAPK, JAKSTAT, and PI3K-Akt.. Aberrant SHP2 activity leads to uncontrolled cell proliferation, tumorigenesis, and metastasis.. SHP2 signaling was recently linked to drug resistance against cancer medications such as MEK and BRAF inhibitors.

Article Title: Nonbonded Force Field Parameters from Minimal Basis Iterative Stockholder Partitioning of the Molecular Electron Density Improve CB7 Host-Guest Affinity Predictions.
Article Snippet: With five topology updates, the difference between atomic charges from two subsequent cycles was below 0.05e.19 Chemically equivalent atoms, such as hydrogen atoms in methyl groups, were identified for the host with the OpenEye Python Toolkit (version 2017.2.1), and their converged DMBIS charges were averaged.

Article Title: Molecular Environment-Specific Atomic Charges Improve Binding Affinity Predictions of SAMPL5 Host-Guest Systems.
Article Snippet: Host−guest systems are widely used in benchmarks as model systems to improve computational methods for absolute binding free energy predictions.. Recent advances in sampling algorithms for alchemical free energy calculations and the increase in computational power have made their binding affinity prediction primarily dependent on the quality of the force field.. Here, we propose a new methodology to derive the atomic charges of host−guest systems based on quantum mechanics/molecular mechanics calculations and minimal basis iterative stockholder (MBIS) partitioning of the polarized electron density.

Article Title: Inhibitors of histone deacetylase 6 based on a novel 3-hydroxy-isoxazole zinc binding group
Article Snippet: 2D ligand-based analyses were also performed by using in house developed scripts, implemented in the OpenEye Python Toolkits (release 2020-1)7.



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90
OpenEye Scientific Software Inc openeye python toolkits
Openeye Python Toolkits, supplied by OpenEye Scientific Software Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/openeye+python+toolkits/openeye+python+toolkits/pm37555591-364-28-28
Average 90 stars, based on 1 article reviews
openeye python toolkits - by Bioz Stars, 2026-10
90/100 stars
  Buy from Supplier

90
OpenEye Scientific Software Inc openeye python toolkit
Openeye Python Toolkit, supplied by OpenEye Scientific Software Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/openeye+python+toolkits/openeye+python+toolkits/pm35959540-72-33-33
Average 90 stars, based on 1 article reviews
openeye python toolkit - by Bioz Stars, 2026-10
90/100 stars
  Buy from Supplier

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