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A Semi-automated Approach to Create Purposeful Mechanistic Datasets from Heterogeneous Data: Data Mining Towards the in silico Predictions for Oestrogen Receptor Modulation and Teratogenicity.
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- Molecular Informatics, 2017, v. 36, n. 8, p. n/a, doi. 10.1002/minf.201600154
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- Article
National defence vs. foreign affairs.
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- International Journal, 2004, v. 59, n. 3, p. 579, doi. 10.1177/002070200405900307
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- Article
Avoiding hERG-liability in drug design via synergetic combinations of different (Q)SAR methodologies and data sources: a case study in an industrial setting.
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- Journal of Cheminformatics, 2019, v. 11, n. 1, p. 1, doi. 10.1186/s13321-019-0334-y
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- Article
JPlogP: an improved logP predictor trained using predicted data.
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- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0316-5
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- Article
A quantitative in silico model for predicting skin sensitization using a nearest neighbours approach within expert-derived structure-activity alert spaces.
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- Journal of Applied Toxicology, 2017, v. 37, n. 8, p. 985, doi. 10.1002/jat.3448
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- Article
Enhancing Carbon Acid pK a Prediction by Augmentation of Sparse Experimental Datasets with Accurate AIBL (QM) Derived Values.
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- Molecules, 2021, v. 26, n. 4, p. 1048, doi. 10.3390/molecules26041048
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- Article
Solid-Phase Methodology for Synthesis of O-Alkylated Aromatic Oligoamide Inhibitors of α-Helix-Mediated Protein-Protein Interactions.
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- Chemistry - A European Journal, 2013, v. 19, n. 18, p. 5546, doi. 10.1002/chem.201204098
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- Article