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Field-based virtual screening — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/field_based_ligand_screener.html28 Mar 2024: The pharmacophore query will be generated from a subset of 13 CDK2 inhibitors taken from the AZ test set, a benchmarking data set for pharmacophore programs. -
ccdc.csp.prediction — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/_modules/ccdc/csp/prediction.html28 Mar 2024: tests', 'csp', 'testdata',. 'Axitinib_00001.CIF') >>> p=Prediction.from_cif(cif_file) >>> len(p.molecule.atoms) 46 >>> p.classification_energy_relative 0.0 >>> p.optimisation_energy_model 'Force Field' >>> -
Pharmacophore Examples — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/cookbook_examples/pharmacophore_examples.html28 Mar 2024: organometallic = False for entry in EntryReader('CSD'): # filter out entries that don't match the search parameters if not settings.test(entry): continue # filter out entries that don't have a -
Reminder: Research Grants Administrator Programme: May - July 2024 |…
https://www.research-operations.admin.cam.ac.uk/about-us/bulletin/item/reminder-research-grants-administrator-programme-may-july-202428 Mar 2024: The Research Operations Office is about to embark on the next Research Grants Administrator Programme 2024 (previously known as ROOTS) and we are pleased to invite Expressions of Interest from all staff within the University who play an active role -
ccdc.pharmacophore — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/_modules/ccdc/pharmacophore.html28 Mar 2024: Navigation. ». Source code for ccdc.pharmacophore. # # This code is Copyright (C) 2015 The Cambridge Crystallographic Data Centre # (CCDC) of 12 Union Road, Cambridge CB2 1EZ, UK and a proprietary work of CCDC. # This code may not be used, -
ccdc.csp.csd_landscape_generator — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/_modules/ccdc/csp/csd_landscape_generator.html28 Mar 2024: os.path.dirname(os.path.abspath(__file__)), '.', '.', 'tests',. 'csp', 'testdata', 'csd_landscape_generator', 'HXACAN_shapes.sqlite'). code:: python >>> landscape_generator.settings.nstructures=3 >>> landscape = list(landscape_generator.generate(mol) -
ccdc.descriptors — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/_modules/ccdc/descriptors.html28 Mar 2024: Navigation. ». Source code for ccdc.descriptors. # # This code is Copyright (C) 2015 The Cambridge Crystallographic Data Centre # (CCDC) of 12 Union Road, Cambridge CB2 1EZ, UK and a proprietary work of CCDC. # This code may not be used, reproduced, -
ccdc.docking — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/_modules/ccdc/docking.html28 Mar 2024: No tests are performed to check for over-writing of files when calling write. -
Save the date: Friday 14th June - European Research Council (ERC)…
https://www.research-operations.admin.cam.ac.uk/about-us/bulletin/item/save-date-friday-14th-june-european-research-council-erc-information-event28 Mar 2024: On the 14th June 2024, the Research Operations Office is organising a European Research Council (ERC) Information Event (hybrid) at the University of Cambridge. Following the association of UK to Horizon Europe Programme, this event aims to inform -
Rethinking low-level radiation risksThe Linear Non-Threshold (LNT)…
https://www.energy.cam.ac.uk/files/rethinking_low-level_radiation_risks_-_sannah_van_balen.pdf28 Mar 2024: The diculty lies in determining how farto take this given economic and societal costs (that areoften more dicult to estimate). ... Although the ICRPemphasises that this principle should consider societaland economic factors, such cost-benefit analysis is
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