Artificial intelligence in biological activity prediction

Artificial intelligence has become an indispensable resource in chemoinformatics. Numerous machine learning algorithms for activity prediction recently emerged, becoming an indispensable approach to mine chemical information from large compound datasets. These approaches enable the automation of compound discovery to find biologically active molecules with important properties. Here, we present a review of some of the main machine learning studies in biological activity prediction of compounds, in particular for sweetness prediction. We discuss some of the most used compound featurization techniques and the major databases of chemical compounds relevant to these tasks.This study was supported by the European Commission through project SHIKIFACTORY100 - Modular cell factories for the production of 100 compounds from the shikimate pathway (Reference 814408), and by the Portuguese FCT under the scope of the strategic funding of UID/BIO/04469/2019 unit and BioTecNorte operation (NORTE-01-0145-FEDER-000004) funded by the European Regional Development Fund under the scope of Norte2020.info:eu-repo/semantics/publishedVersio

Bio-AIMS collection of chemoinformatics web tools based on molecular graph information and artificial intelligence models

[Abstract] The molecular information encoding into molecular descriptors is the first step into in silico Chemoinformatics methods in Drug Design. The Machine Learning methods are a complex solution to find prediction models for specific biological properties of molecules. These models connect the molecular structure information such as atom connectivity (molecular graphs) or physical-chemical properties of an atom/group of atoms to the molecular activity (Quantitative Structure - Activity Relationship, QSAR). Due to the complexity of the proteins, the prediction of their activity is a complicated task and the interpretation of the models is more difficult. The current review presents a series of 11 prediction models for proteins, implemented as free Web tools on an Artificial Intelligence Model Server in Biosciences, Bio-AIMS (http://bio-aims.udc.es/TargetPred.php). Six tools predict protein activity, two models evaluate drug - protein target interactions and the other three calculate protein - protein interactions. The input information is based on the protein 3D structure for nine models, 1D peptide amino acid sequence for three tools and drug SMILES formulas for two servers. The molecular graph descriptor-based Machine Learning models could be useful tools for in silico screening of new peptides/proteins as future drug targets for specific treatments.Red Gallega de Investigación y Desarrollo de Medicamentos; R2014/025Instituto de Salud Carlos III; PI13/0028

From Biological to Synthetic Neurorobotics Approaches to Understanding the Structure Essential to Consciousness (Part 3)

This third paper locates the synthetic neurorobotics research reviewed in the second paper in terms of themes introduced in the first paper. It begins with biological non-reductionism as understood by Searle. It emphasizes the role of synthetic neurorobotics studies in accessing the dynamic structure essential to consciousness with a focus on system criticality and self, develops a distinction between simulated and formal consciousness based on this emphasis, reviews Tani and colleagues' work in light of this distinction, and ends by forecasting the increasing importance of synthetic neurorobotics studies for cognitive science and philosophy of mind going forward, finally in regards to most- and myth-consciousness

Artificial Intelligence in the Context of Human Consciousness

Artificial intelligence (AI) can be defined as the ability of a machine to learn and make decisions based on acquired information. AI’s development has incited rampant public speculation regarding the singularity theory: a futuristic phase in which intelligent machines are capable of creating increasingly intelligent systems. Its implications, combined with the close relationship between humanity and their machines, make achieving understanding both natural and artificial intelligence imperative. Researchers are continuing to discover natural processes responsible for essential human skills like decision-making, understanding language, and performing multiple processes simultaneously. Artificial intelligence attempts to simulate these functions through techniques like artificial neural networks, Markov Decision Processes, Human Language Technology, and Multi-Agent Systems, which rely upon a combination of mathematical models and hardware

Prediction of intent in robotics and multi-agent systems.

Moving beyond the stimulus contained in observable agent behaviour, i.e. understanding the underlying intent of the observed agent is of immense interest in a variety of domains that involve collaborative and competitive scenarios, for example assistive robotics, computer games, robot-human interaction, decision support and intelligent tutoring. This review paper examines approaches for performing action recognition and prediction of intent from a multi-disciplinary perspective, in both single robot and multi-agent scenarios, and analyses the underlying challenges, focusing mainly on generative approaches