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Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules.

, , , , , , and . J. Cheminformatics, (2015)

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Experimental validation of in silico target predictions on synergistic protein targets., , , , and . J. Cheminformatics, 5 (S-1): 31 (2013)Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout., and . CoRR, (2019)Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Errors for Deep Neural Networks., and . CoRR, (2018)Bioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data sets.. J. Cheminformatics, 8 (1): 13:1-13:6 (2016)Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets., , , , , , , and . J. Cheminformatics, (2013)Genomic basis for RNA alterations in cancer., , , , , , , , , and 64 other author(s). Nat., 578 (7793): 129-136 (2020)Benchmarking the Predictive Power of Ligand Efficiency Indices in QSAR.. Journal of Chemical Information and Modeling, 56 (8): 1576-1587 (2016)Pan-cancer analysis of whole genomes identifies driver rearrangements promoted by LINE-1 retrotransposition, , , , , , , , , and 115 other author(s). Nature Genetics, (2020)A decision-theoretic approach to the evaluation of machine learning algorithms in computational drug discovery., , , and . Bioinform., 35 (22): 4656-4663 (2019)Concepts and Applications of Conformal Prediction in Computational Drug Discovery., and . CoRR, (2019)