Adapt-cMolGPT: A Conditional Generative Pre-Trained Transformer with Adapter-Based Fine-Tuning for Target-Specific Molecular Generation.

Small-molecule drug design aims to generate compounds that target specific proteins, playing a crucial role in the early stages of drug discovery. Recently, research has emerged that utilizes the GPT model, which has achieved significant success in various fields to generate molecular compounds. However, due to the persistent challenge of small datasets in the pharmaceutical field, there has been some degradation in the performance of generating target-specific compounds. To address this issue, we propose an enhanced target-specific drug generation model, Adapt-cMolGPT, which modifies molecular representation and optimizes the fine-tuning process. In particular, we introduce a new fine-tuning method that incorporates an adapter module into a pre-trained base model and alternates weight updates by sections. We evaluated the proposed model through multiple experiments and demonstrated performance improvements compared to previous models. In the experimental results, Adapt-cMolGPT generated a greater number of novel and valid compounds compared to other models, with these generated compounds exhibiting properties similar to those of real molecular data. These results indicate that our proposed method is highly effective in designing drugs targeting specific proteins.

Neural Networks in the Design of Molecules with Affinity to Selected Protein Domains.

Drug design with machine learning support can speed up new drug discoveries. While current databases of known compounds are smaller in magnitude (approximately 108), the number of small drug-like molecules is estimated to be between 1023 and 1060. The use of molecular docking algorithms can help in new drug development by sieving out the worst drug-receptor complexes. New chemical spaces can be efficiently searched with the application of artificial intelligence. From that, new structures can be proposed. The research proposed aims to create new chemical structures supported by a deep neural network that will possess an affinity to the selected protein domains. Transferring chemical structures into SELFIES codes helped us pass chemical information to a neural network. On the basis of vectorized SELFIES, new chemical structures can be created. With the use of the created neural network, novel compounds that are chemically sensible can be generated. Newly created chemical structures are sieved by the quantitative estimation of the drug-likeness descriptor, Lipinski's rule of 5, and the synthetic Bayesian accessibility classifier score. The affinity to selected protein domains was verified with the use of the AutoDock tool. As per the results, we obtained the structures that possess an affinity to the selected protein domains, namely PDB IDs 7NPC, 7NP5, and 7KXD.

The self in selfies-Conceptualizing the selfie-coordination of marginalized youth with sociology of engagements.

This article develops a theory of selfies as reflexive practices of self-coordination. Building on pragmatist sociology of engagements, I conceptualize selfies as digital practices of coordinating with the self in formats that are recognizable for others. This framework allows approaching the self as an act of coordination, simultaneously shaped by, and equipped to subvert the cultural conditions of how we ought to be. As these conditions are increasingly enforced and negotiated in the socio-technological arrangements of digital platforms, the article proposes an approach for making sense of selfies as key contemporary tools of self-making. Based on ethnographic work among activists with marginalizing experiences, I ask how the self is coordinated in the activists' selfies. I identify four ways of coordinating with the self in selfies: the self in a plan, the self in exploration, the affirmed self, and the self as public critique. The article contributes to our understanding on how practices of self-making evolve in an increasingly visual-digital society, and provides an approach for conceptualising the self as plural. By approaching the selfie as different formats of relating to the self, the framework proposed accounts for the possibility of multiple selves now afforded by digital technologies and enables analysing their politicizing potential.

Protect me from my selfie: Examining the association between photo-based social media behaviors and self-reported eating disorders in adolescence.

OBJECTIVE: This study examined whether social media behaviors were associated with higher odds of meeting criteria for an eating disorder and whether gender moderated these relationships. METHOD: Australian adolescents (N = 4,209; 53.15% girls) completed the self-report photo investment and manipulation scales. Additional self-report items assessed avoidance of posting selfies and investment in others' selfies. Eating disorders were identified by the Eating Disorder Examination Questionnaire and other self-report measures aligned with diagnostic and statistical manual for mental disorders-5 criteria. RESULTS: A multinomial logistic regression examining the effect of avoidance of posting selfies, photo investment, photo manipulation, and investment in others' selfies on the likelihood of meeting criteria for an eating disorder, compared to no disorder, was significant (χ2 [42] = 1,128.93, p < .001). Greater avoidance was associated with higher odds of meeting criteria for all disorders except clinical/subclinical binge-eating disorder and purging disorder. Increased photo investment was related to greater odds of meeting criteria for all disorders. A similar relationship emerged for photo manipulation, with the exception of clinical/subclinical binge-eating disorder, and unspecified feeding and eating disorder. Investment in others' selfies was associated with higher odds of meeting criteria for all disorders except clinical/subclinical anorexia nervosa and purging disorder. There was a significant interaction between gender and avoidance (χ2 [1] = 5.23, p = .025, OR = 1.74), whereby boys were more likely to meet criteria for clinical/subclinical anorexia nervosa in the context of greater avoidance of posting selfies. DISCUSSION: Appearance-related social media behaviors may be indicative of eating disorder risk. Implications for clinicians and advancements for social media screening tools are discussed.

"Selfie"-related electrocution.

Electrical injuries contribute a small but significant fraction to all burn trauma cases, and an even smaller proportion to those that are lethal. Accidental death rates among teenagers are the highest of all age-groups, and taking a "selfie" has been a practice that has, on rare occasions, led to such a death, often from electrocution. The case of a young man and his friend, who were electrocuted after climbing onto the roof of a parked railway wagon to take selfies is reported. One died at the scene, while the other survived. This case demonstrates that electrocution may occur with parked railway wagons, and in the young may be associated with selfie taking.

Relative Physical Position as an Impression-Management Strategy: Sex Differences in Its Use and Implications.

People's physical position relative to others may shape how those others perceive them. The research described here suggests that people use relative physical position to manage impressions by strategically positioning themselves either higher or lower relative to ostensible observers. Five studies supported the prediction that women take and display photographs portraying themselves in a low relative physical position to highlight their youthful features and appear attractive, whereas men take and display photographs portraying themselves in a high relative physical position to highlight their size and appear dominant. The effectiveness of these strategies was confirmed in two studies that measured social perceptions of male and female targets who varied in their relative position. In sum, as do members of other social species, people use relative physical position to manage social impressions, and although these impression-management strategies may have deep ancestral roots, they appear to manifest themselves through a contemporary human modality-photographs.

Composition in portraits: Selfies and wefies reveal similar biases in untrained modern youths and ancient masters.

Previous analyses suggest that artists prefer poses showing the left side of the subject's face when composing a portrait, but showing the right side when composing their own self-portrait. There is also some evidence that artists may prefer compositions with key features on the right of the picture. Do these findings generalize to spontaneous, pseudo-artistic productions by individuals with no formal training in painting and art history? To investigate this issue, we tested a sample of 104 British schoolchildren and teenagers (mean age = 13.8 years; 80 females). We analysed posing biases in individual photographic self-portraits ("selfies") as well as of self-portraits including also the portrait of a friend ("wefies"). Our results document a bias for showing the left cheek in selfies, a bias for placing the selfie-taker on the right in wefies, and a bias for showing two left cheeks over two right cheeks, again in wefies. These biases are reminiscent of what has been reported for selfies in adult non-artists and for portraits and self-portraits by artists in the 16th-18th centuries. Thus, these results provide new evidence in support of a biological basis for side biases in portraits and self-portraits independently of training and expertise.

Use of photo filters is associated with muscle dysmorphia symptomatology among adolescents and young adults.

It has been documented in the literature that the use of photo filters to alter one's appearance may negatively impact body image and increase the risk for thinness-oriented disordered eating behaviors. However, the prior research has neglected to investigate the association between use of photo filters and muscle dysmorphia symptomatology, which was the aim of this study. Data from the Canadian Study of Adolescent Health Behaviors (2022; N = 912), a national study of adolescents and young adults in Canada, were analyzed. Linear regression analyses revealed that the use of photo filters was associated with greater muscle dysmorphia symptomatology, including total symptomatology and Appearance Intolerance, among the overall sample. Gender significantly moderated the association between photo filter use and muscle dysmorphia symptomatology, whereby boys and young men, compared to girls and young women, who reported photo filter use had greater Drive for Size and Functional Impairment symptomatology. Findings expand prior research by emphasizing that photo filter use is related to muscularity-oriented body image concerns and behaviors. Future research is needed to elucidate the mechanisms that underpin this association.

The association between use of social media and the development of body dysmorphic disorder and attitudes toward cosmetic surgeries: a national survey.

Introduction: Body dysmorphic disorder (BDD) causes distress due to one's negative appraisal of their body image. The development of BDD has been linked to the passive use of social media and photo-editing apps. People with BDD typically pursue cosmetic surgeries to remedy their perceived flaws. The dramatic increase in the use of photo-editing apps and their well-established effects on mental health is a public health concern. Purpose: To study the association between use of social media and the development of BDD and acceptance toward cosmetic surgeries (ACSS) among Saudis. Methods: An online, cross-sectional, validated survey conducted among Saudis 18 and older. Descriptive analyses were utilized for demographics and prevalence rates of main study variables. ANOVA was used to compare mean scores in BDD and ACSS among different demographic groups. Tukeys post-hoc test was done to identify the categories that were different when the ANOVA test showed a statistically significance. A p-value of <0.05 was considered statistically significant. Results: A total of 1,483 Saudi adults completed the questionnaire. Key results showed that BDD was found in 24.4 % of the sample. The percentage of participants with BDD who spent 4-7 h per day on Instagram and Snapchat (29%) was significantly higher than those who spent only less than an hour per day on these platforms (19%) (p < 0.001). Individuals with BDD had a significantly higher risk of accepting cosmetic surgery compared to those without BDD (p < 0.001). Conclusion: A growing body of evidence suggests that social media may impact mental health in different ways. This study reveals that heavy use of these platforms is associated with negative appraisals about one's physical appearance, and it fosters one's tendency toward cosmetic surgery, especially among females.

Management of the Crooked Nose: Structural, Preservation, or Camouflage Techniques.

The asymmetric nose is challenging for even the most experienced rhinoplasty surgeons. It has often been referred to as the crooked, twisted, and deviated nose and describes any nose that has deviation of the nasal dorsum and pyramid from the facial midline. This article summarizes the senior author's (SPM) approach and application of structural and preservation concepts to correct the underlying causes of the crooked nose.

Reconstruction of lossless molecular representations from fingerprints.

The simplified molecular-input line-entry system (SMILES) is the most prevalent molecular representation used in AI-based chemical applications. However, there are innate limitations associated with the internal structure of SMILES representations. In this context, this study exploits the resolution and robustness of unique molecular representations, i.e., SMILES and SELFIES (SELF-referencIng Embedded strings), reconstructed from a set of structural fingerprints, which are proposed and used herein as vital representational tools for chemical and natural language processing (NLP) applications. This is achieved by restoring the connectivity information lost during fingerprint transformation with high accuracy. Notably, the results reveal that seemingly irreversible molecule-to-fingerprint conversion is feasible. More specifically, four structural fingerprints, extended connectivity, topological torsion, atom pairs, and atomic environments can be used as inputs and outputs of chemical NLP applications. Therefore, this comprehensive study addresses the major limitation of structural fingerprints that precludes their use in NLP models. Our findings will facilitate the development of text- or fingerprint-based chemoinformatic models for generative and translational tasks.

Social Comparison and Female Adolescents' Selfie Behaviors: Body Surveillance as the Mediator and Self-Esteem as the Moderator.

The current study aimed to examine whether body surveillance mediated the relation between social comparison and selfie behaviors, and whether this mediating process was moderated by self-esteem. A sample of 339 female adolescents were recruited to participate in the present study and completed self-report measures of selfie behaviors, upward and downward appearance comparisons with peers, self-objectification and self-esteem. Results indicated that body surveillance mediated the association between upward physical appearance comparison and selfie behaviors. In addition, self-esteem moderated the relation between body surveillance and selfie behaviors. These findings add to the extant literature by suggesting that selfies may be some new ways of body surveillance and physical appearance comparison, which have some theoretical and practical implications.

The sci-commodity sensibilities of performative Covid-19 face masking.

This article explores how extravagantly visible mask-wearing relates with consumer culture. Methodologically, three purposively chosen case studies of spectacular or performative mask-wearing are used to show what the face mask can teach us about consumer culture in a pandemic. First, a Daily Mail (UK) article in which an 'elderly shopper' is shamed for wearing a sanitary towel as a face mask is used to explore the politics of disposable commodities. Second, the multiplying portraits of people wearing masks archived under Instagram's #MaskSelfie hashtag allows an examination of how consumer-citizenship is performed. Third, the presence of extremely expensive luxury designer masks, as evidenced by Rich Mnisi's Swarovski-encrusted offering, is a base for considering how virtue signalling has become a platform for luxury branding. Building on these three examples, the argument is made that waste, selfies and luxury are modalities for a pandemic commodity politics that is layered over and into the scientific citizenship signalled by the wearing of face masks. Together these create what I call a 'sci-commodity' sensibility, in which the face mask as a technology has become integrated with the modalities of consumption. This has resonance with ongoing debates about the object, subject and brand in consumer culture.

ReBADD-SE: Multi-objective molecular optimisation using SELFIES fragment and off-policy self-critical sequence training.

The discovery of drugs to selectively remove disease-related cells is challenging in computer-aided drug design. Many studies have proposed multi-objective molecular generation methods and demonstrated their superiority using the public benchmark dataset for kinase inhibitor generation tasks. However, the dataset does not contain many molecules that violate Lipinski's rule of five. Thus, it remains unclear whether existing methods are effective in generating molecules violating the rule, such as navitoclax. To address this, we analysed the limitations of existing methods and propose a multi-objective molecular generation method with a novel parsing algorithm for molecular string representation and a modified reinforcement learning method for the efficient training of multi-objective molecular optimisation. The proposed model had success rates of 84% in GSK3b+JNK3 inhibitor generation and 99% in Bcl-2 family inhibitor generation tasks.

The impact of selfies on body image satisfaction and the chain mediating role of self-objectification and narcissistic personality.

This study explores the mediating effect of self-objectification and narcissistic personality on the relationship between selfies and body image satisfaction. A total of 368 college students were administered a survey that included general information, selfie-related questions, a body image satisfaction scale, a body surveillance scale, and a narcissistic personality scale. Selfies, body image satisfaction, self- objectifica- tion, and narcissistic personality were shown to be positively correlated. Mediation modeling analysis found that selfies had a direct effect on body image satisfaction and that self-objectification and narcissistic personality mediated this relationship. Consequently, this study holds suggestions for researchers and educators searching for better exploration and attention to improve the content of education, guide students to set up a correct moral outlook, outlook on life and values.

Screening for HPV-Related Oropharyngeal Cancer in Gay and Bisexual Men: Acceptability and Predicting Possible Use of "Oral Selfies" by Smartphone as a Secondary Prevention Approach.

Oropharyngeal cancers (OPCa) caused by HPV have emerged as one of the leading causes of malignancies caused by HPV infection. They are also significantly more likely to occur in males and in people with a history of oral sex with multiple partners. Gay and bisexual men are disproportionately affected by HPV-positive oropharyngeal cancers. We studied 1699 gay and bisexual men on 2 major dating sites in the US to assess their knowledge about HPV-related OPCa, attitudes toward screening for it, beliefs about oropharyngeal cancer screening based on the Health Belief Model, and attitudes toward possible screening approaches for OPCa. Knowledge on a 12-item scale was low, with a median of 5 items correct: 72% knew of the benefits of HPV vaccination. Significant predictors of needing OPCa screening included perception of risk for OPCa, seeing it as severe, having lower barriers, fewer reasons to avoid screening, higher knowledge, and being HPV vaccinated were significant predictors, explaining half the total variance. Most participants would accept routine, virtual/online doctor or dental appointments, and over half would accept an in-person screening. Nearly two-thirds stated that they would accept getting checked for OPCa if they could do self-screening at home, and half were prepared to use an online screening tool or app, where they could take an "oral selfie" and send it to a healthcare provider for examination. One-third stated that they would trust the results of a home screening completed by themselves and posted to a website equally as cancer screening completed online by a healthcare provider. Data indicate that despite low OPCA knowledge levels, the risk of HPV-associated OPCa was known. Being at personal risk and having knowledge of disease severity had 70% of the sample thinking about, or preparing to get, screening. Self-screening by a smartphone "oral selfie" transmitted to a screening website was acceptable to many gay and bisexual men, and online screening by a doctor or dentist was acceptable to most. OPCa screening in this population using electronic technology, together with the increasing incidence of HPV-associated OPCa in gay and bisexual men, brings together an opportunity to detect OPCa early.

Darwinian Dentistry? Social Media, Smartphones and Selfie Sticks.

The COVID-19 pandemic produced numerous challenges for clinical dentistry which necessitated adaptation and innovation. This article will illustrate the use of selfie stick devices and ring lights for dental care practitioners to create customised 'selfie' videos of them using very effective cleaning devices on the patient's own smartphone. Because these short, engaging videos are now readily available to the patient at their home it reminds them which brushes to use, where and how. Patients are empowered by these videos which put them at the centre, reinforcing the key preventive message that they can improve and maintain their oral health by introducing effective oral hygiene behaviours. The many advantages, both for patients and for their practice teams, will be discussed in detail.

Attitude and Perception Toward Taking Selfies and Using Filters and Their Relationship With Blepharoplasty.

BACKGROUND: Due to the general increase in the use of social media, the increasing popularity of taking selfies and using filters, we found it essential to examine the effect of these behaviors on the perception and attitude toward blepharoplasty. AIM: This article was conducted to assess participants' attitudes and perceptions toward taking selfies and using filters and their relation to blepharoplasty. METHODS: This study was an observational cross-sectional study undertaken in Saudi Arabia. The study targeted all adults in Saudi Arabia. The study subjects are adults living in Saudi Arabia who consented to participate in the study and have filled out the questionnaire fully between January and April 2022 while meeting the inclusion and exclusion criteria. A convenient sampling technique was used for data collection. The Chi-square test was used to test for association. RESULTS: A total of 466 participants were included in the study. (94.6%) of the participants reported taking selfies, with varying frequencies, with Snapchat being the most commonly used application (82.5%). Moreover, 87.05% of the participants reported using filters, and 96.08% of those who use filters used them from Snapchat. 45.5% of the participants reported comparing their eyelids with others' when seeing their selfies, 50.6% reported thinking that taking a selfie has a role in making a decision to undergo blepharoplasty, and 47.6% reported thinking that using filters has a role in making a decision to undergo blepharoplasty.  Conclusion: This study reflected a notably high rate of taking selfies and using photo filters. The participants' assessment toward the impact of taking selfies and using filters on the decision to undergo blepharoplasty was observed to be moderate. Females were observed to have significantly higher rates of thinking that taking pictures and using filters influence the decision to undergo blepharoplasty compared to males.

Exploring the use of selfies in human identification.

BACKGROUND AND AIMS: The comparison of post-mortem evidence to ante-mortem data is the usual approach Forensic Odontologists take in managing human identification cases. Although dental charts and radiographs are widely used as ante-mortem dental evidence, photographs, including non-clinical ones such as selfies are not regarded as such. Therefore, photographs are not regularly assessed in identifying the deceased. This cross-sectional study was aimed to investigate the possible contributions of selfies in human identification and to suggest a structured methodology to assess selfie images with the data collected. MATERIAL AND METHODS: An e-survey composed of five open and seven close-ended questions was designed using JISC Online Surveys program (2020) to explore the opinions of practising Forensic Odontologists and related professionals on the use of photographs and selfies in human identification. Responses to the survey were collected and analysed into descriptive charts and statistics. RESULTS: Eighty-two out of 200 professionals completed their responses (40.8% response rate). 73.2% of them acknowledged that selfies could be used as a main or adjunct evidence in dental identification. Experienced participants in selfies assessed dental anatomy (n = 6), dental restorations (n = 6), craniofacial landmarks (n = 5), oral soft tissues (n = 3), and implement the use of photo-editing software (n = 3) when provided with photographs to analyze using the direct comparison technique. CONCLUSION: It may be concluded that selfies could be supplementary dental ante-mortem evidence. The designing of a step-by-step visual analysis of dental characteristics on a selfie photograph could subsequently be incorporated into official Forensic Odontology association guidelines worldwide. Further research in this area should be carried out along with the advancements in technology.