PTML: Perturbation-Theory Machine Learning methods have been developed by H. to seek models able to predict multiple properties f(si, cj)k of type k of a system (si) at the same time (multi-output and multiobjective) taking into consideration variations (perturbations) in multiple experimental conditions cj = (c0, c1, c2, ..... cn) at the same time with respect to a value of reference or expected. PTML-like models have been applied for different authors to study drugs, proteins, nanoparticles, complex networks, social systems, etc. [1-17]. In the particular case of a PTML linear models we can fit an equation with the general form f(si, cj)new = a0 + a1• f(si, cj)ref + SUM(bk•PTO(cj)k). In this model PTO(cj)k are PT operators measuring the perturbations in the new system si with respect to the system of reference sr with observed or expected property f(si, cj)ref. First, we need to calculate the values of the PTOs in the data pre-processing step. This PTOs allow us to perform an Information Fusion process with variables and conditions from different sources. Moving Averages (MA), Multi-condition MA (MMAs), Double MAs, Co-variance Operators, etc. are some examples of useful PTOs. After that, we can use Multiple Linear Regression (MLR), Linear Discriminant Analysis (LDA), or other linear ML techniques to seek the PTML model. In the nonlinear cases, we can fit the PTML models using Artificial Neural Networks (ANN), Support Vector Machines (SVM), Classification Trees, and other ML methods.

Appearance of Multidrug-Resistant (MDR) strains with perturbed Metabolic Networks (MN) push researcher to improve Antibacterial Drugs (AD). Some Nanoparticles (NP) may present antibacterial activity apart from acting as delivery systems....

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Welcome from the Conference ChairWe are glad to invite all colleagues worldwide to participate on a new edition of this International Conference Series. The official title of this conference series is MOL2NET International Conference Series on Multidisciplinary Sciences. This is a scientific conference series running on a year-round conference scheme (opened for submissions and publications almost all the year) in order to fit on the same platform 3 general sections and more than 10 associate workshops worldwide (see schedule bellow). (1) Submit the title and abstract, select a section or workshop (do not upload paper here) [Submit New Abstract] (2) Wait for Sciforum abstract acceptance email, follow the link, and/or login to upload paper, doc and pdf format (3) Download template doc and prepare your communication [Template File] (4) Wait for paper acceptance and publication emails (follow link to proofread your paper) (Asap after upload) (5) Communicate with chairpersons if corrections are necessary, including past editions (All the year) (6) Log in to post comments, questions, or answers in a section or one of the workshops Schedule for Online participation: After publication of papers is closed we open the online platform for online participation. The authors will be able to post online comments and/or answers to comments in this workshop/section and also in the other general sections and/or >10 international workshops of the MOL2NET conference (many of them also run both online and in person). The participants are entitled to receive participation certificates for MOL2NET conference and all the workshops they participate upon request to the respective chairpersons. See committees of MOL2NET and each workshop.Schedule for in person participation: Many of the workshops associated to MOL2NET are going to be held also in person (face-toface) in different universities of USA, Spain, Italy, Mexico, Chile, etc. This in person workshops have specific schedules in parallel to their online versions. Please, go to the homepages of these workshops and/or contact their chairpersons for further details.Notes for participants MOL2NET conference runs both online (general sections) and/or in person (associated workshops). No physical presence is needed for online participation saving traveling costs. We accept experimental works, theoretical works, or experimental-theoretic works in the areas mentioned. Proceedings will be Published Online, Open Access, and Totally Free of Charges (no cost). For details about in person (face-to-face) participation on associated workshops contact the respective members of the local committees.Before to submit your communication recommend to download and use the [Template File] to write your communication; we strongly recommend you to read carefully the following notes to participants about publication model, copyright, authors responsibilities, etc Firstly, be aware that the works published here belongs to two main modalities preliminary communications or comments on previous works.Prel...

USEDAT School & Workshop. USEDAT: USA-Europe Data Analysis Training School is a Multi-center TransAtlantic initiative offering hands-on training focused in both Introduction to Experimental Data Recording (NMR, MS, IR, 2DGE, EEG, etc.) and/or posterior Computational Data Analysis (Machine Learning, Complex Networks, etc.). We made emphasis on applications in for Cheminformatics, Bioinformatics, Medicinal Chemistry, Nanotechnology, Systems Biology, Biomedical Engineering, etc. The school also promotes training and knowledge of ethical and legal regulatory issues (GDPR, REACH, OECD, FDA, etc.) about data use and data protection in chemistry and biomedical research. The school is directed to researchers and students worldwide. The initiative joins various sister summer schools, workshops, boot camps, hands-on training courses, and/or capstone courses of universities in United States and Europe. This includes courses and research workshops offered/chaired by

Prediction of pH-dependent aqueous solubility of druglike molecules of different chemical behavior

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