Model: HassanCS/chemBERTa-tuned-on-ClinTox-3
Author: HassanCS
Pipeline: sentence-similarity
Library: sentence-transformers
Tags: sentence-transformers, safetensors, roberta, sentence-similarity, feature-extraction, generated_from_trainer, dataset_size:10000, loss:ContrastiveLoss, arxiv:1908.10084, base_model:DeepChem/ChemBERTa-77M-MLM, base_model:finetune:DeepChem/ChemBERTa-77M-MLM, model-index, text-embeddings-inference, endpoints_compatible, region:us
Base models (finetune): id: DeepChem/ChemBERTa-77M-MLM
Card metadata: tags: sentence-transformers, sentence-similarity, feature-extraction, generated_from_trainer, dataset_size:10000, loss:ContrastiveLoss
base_model: DeepChem/ChemBERTa-77M-MLM
widget: source_sentence: CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
sentences: C[NH+]1CCC(=C2c3ccccc3CCn3c(C=O)c[nH+]c32)CC1, COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1, CC1CNc2c(cccc2S(=O)(=O)NC(CCC[NH+]=C(N)N)C(=O)N2CCC(C)CC2C(=O)[O-])C1, source_sentence: CC(C)c1ccc2oc3nc(N)c(C(=O)[O-])cc3c(=O)c2c1
sentences: COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O, CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1, CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C([NH3+])C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)[O-], source_sentence: C[NH2+]C1CCc2[nH]c3ccc(C(N)=O)cc3c2C1
sentences: CC(OC(=O)c1ccccc1)C1=CCC23OCC[NH+](C)CC12CC(O)C12OC4(O)CCC1(C)C(CC=C32)C4, CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(NC(=O)C2CC(=O)NC(=O)N2)cc1)C(=O)NC(Cc1ccc(NC(N)=O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CCCC[NH2+]C(C)C)C(=O)N1CCCC1C(=O)NC(C)C(N)=O, C[NH+](C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1, source_sentence: CC(C)n1c(C=CC(O)CC(O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21
sentences: C#CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C, CC(C=CC(C)C(C)(C)O)C1CCC2C(=CC=C3CC(O)CC(O)C3)CCCC21C, CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1, source_sentence: CC#CCn1c(N2CCCC([NH3+])C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
sentences: C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1, CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1, CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC1CCCC1
pipeline_tag: sentence-similarity
library_name: sentence-transformers
metrics: cosine_accuracy, cosine_accuracy_threshold, cosine_f1, cosine_f1_threshold, cosine_precision, cosine_recall, cosine_ap
model-index: name: SentenceTransformer based on DeepChem/ChemBERTa-77M-MLM
results: task: type: binary-classification
name: Binary Classification
dataset: name: all dev
type: all-dev
metrics: type: cosine_accuracy
value: 0.9066
name: Cosine Accuracy
verified: no, type: cosine_accuracy_threshold
value: 0.5664876699447632
name: Cosine Accuracy Threshold
verified: no, type: cosine_f1
value: 0.9510122731564041
name: Cosine F1
verified: no, type: cosine_f1_threshold
value: 0.5664876699447632
name: Cosine F1 Threshold
verified: no, type: cosine_precision
value: 0.9067813562712542
name: Cosine Precision
verified: no, type: cosine_recall
value: 0.9997794441993825
name: Cosine Recall
verified: no, type: cosine_ap
value: 0.9523113003188102
name: Cosine Ap
verified: no
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Created: 2025-02-02 18:38:13