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Record W1968170288 · doi:10.1021/cg700696h

The Biological Crystallization Resource: Facilitating Knowledge-Based Protein Crystallizations

2007· article· en· W1968170288 on OpenAlexaff
Chunmin Li, Kevin L. Kirkwood, Gary D. Brayer

Bibliographic record

VenueCrystal Growth & Design · 2007
Typearticle
Languageen
FieldMaterials Science
TopicEnzyme Structure and Function
Canadian institutionsUniversity of British Columbia
Fundersnot available
KeywordsCrystallizationComputer scienceDatabaseData miningResource (disambiguation)Set (abstract data type)SoftwareChemistry

Abstract

fetched live from OpenAlex

The Biological Crystallization Resource (BCR) is a fully standardized, searchable, and comprehensive database of known crystallization conditions of biological macromolecular structures determined by X-ray crystallographic techniques, with a current total of over 18 000 entries. It was created to facilitate the discovery of the relationships between the properties of biological molecules and their optimal crystallization conditions. Construction and maintenance of the database make use of advanced data mining and manipulation techniques, with the associated software being capable of executing single or multiple parameter searches of database entries to determine optimal crystallization conditions for new targets of structural studies. It is a knowledge-based approach to deriving crystallization conditions designed to improve upon the very limited success rates observed for the random sparse matrix based screening methods currently widely employed in the field. Test results clearly demonstrate the predictive ability of BCR-derived knowledge-based crystallization screens, which not only deliver a more focused set of trial conditions but also the expectation of much higher crystallization success rates. The full BCR database, a comprehensive manual, and example demonstration are available at the following Web site: http://www.growacrystal.com .

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.002
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.895
Threshold uncertainty score0.889

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0010.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.031
GPT teacher head0.256
Teacher spread0.225 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations2
Published2007
Admission routes1
Has abstractyes

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